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218 1-Heptene

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  #           Species Formula
  208 NorbornadieneC7H8
  209 TolueneC7H8
  210 1,2-Dimethyl cyclopenteneC7H12
  211 1-Ethyl cyclopenteneC7H12
  212 1-Methyl cyclohexeneC7H12
  213 NorbornaneC7H12
  214 1,1-Dimethyl cyclopentaneC7H14
  215 1,2-cis-Dimethyl cyclopentaneC7H14
  216 1,2-trans-Dimethyl cyclopentaneC7H14
  217 1,3-cis-Dimethyl cyclopentaneC7H14
  218 1-Heptene C7H14
  219 Ethyl cyclopentaneC7H14
  220 Methyl-cyclohexaneC7H14
  221 2,2,3-Trimethyl butaneC7H16
  222 2,2-Dimethyl pentaneC7H16
  223 2,3-Dimethyl pentaneC7H16
  224 2,4-Dimethyl pentaneC7H16
  225 2-Methyl hexaneC7H16
  226 3,3-Dimethyl pentaneC7H16
  227 3-Ethyl pentaneC7H16
  228 3-Methyl hexaneC7H16



DHf: -14.9 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.

  

1-Heptene
 H=-14.89 HR=NIST
  C         0.00000000 +0    0.0000000 +0    0.0000000 +0                      0.0000
  C         1.52693011 +1    0.0000000 +0    0.0000000 +0    1    0    0       0.0000
  C         1.53520296 +1  111.6656292 +1    0.0000000 +0    2    1    0       0.0000
  C         1.53434331 +1  111.4043198 +1  179.9126963 +1    3    2    1       0.0000
  C         1.53483235 +1  111.3678514 +1  179.9876174 +1    4    3    2       0.0000
  C         1.50041773 +1  112.6555756 +1  179.9228892 +1    5    4    3       0.0000
  C         1.33219164 +1  123.0231889 +1  179.8953094 +1    6    5    4       0.0000
  H         1.09591921 +1  111.6114171 +1   60.1579140 +1    1    2    3       0.0000
  H         1.09593319 +1  111.6224584 +1 -120.1820881 +1    1    2    8       0.0000
  H         1.09574757 +1  111.1595696 +1 -119.9108879 +1    1    2    9       0.0000
  H         1.10760406 +1  109.7178679 +1  122.0301943 +1    2    1    3       0.0000
  H         1.10755004 +1  109.7164212 +1  115.9250641 +1    2    1   11       0.0000
  H         1.10693151 +1  109.7872359 +1 -122.0608620 +1    3    2    4       0.0000
  H         1.10688584 +1  109.7797642 +1 -115.8622399 +1    3    2   13       0.0000
  H         1.10731485 +1  109.8841762 +1  121.8768527 +1    4    3    5       0.0000
  H         1.10727494 +1  109.8803704 +1  116.2364848 +1    4    3   15       0.0000
  H         1.11057613 +1  109.8055918 +1 -122.3360738 +1    5    4    6       0.0000
  H         1.11049447 +1  109.8055004 +1 -115.2884202 +1    5    4   17       0.0000
  H         1.09135432 +1  115.7503739 +1  179.9932196 +1    6    5    7       0.0000
  H         1.07943840 +1  123.9017025 +1   -0.0082421 +1    7    6    5       0.0000
  H         1.07941587 +1  123.2299370 +1 -179.9989190 +1    7    6   20       0.0000