Accuracy
bicyclo(2.2.1)heptan-7-ol
794 Bicyclo[2.2.1]heptan-7-ol
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Geometry predicted using PM7
ΔHf: -52.0 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.
PM7
Bicyclo[2.2.1]heptan-7-ol
H=-52.0 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54995000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.55806603 +1 103.6874185 +1 0.0000000 +0 2 1 0
C 1.54987460 +1 103.6425722 +1 0.1235739 +1 3 2 1
C 1.54835418 +1 107.9964798 +1 70.3092545 +1 4 3 2
C 1.54854173 +1 107.9314505 +1 -70.4813554 +1 1 2 3
C 1.56227720 +1 100.1136684 +1 -106.3179069 +1 4 3 5
H 1.09129500 +1 114.7780067 +1 -128.9620207 +1 1 2 6
H 1.09899279 +1 111.3638003 +1 -119.9849493 +1 2 1 3
H 1.09780306 +1 111.8600425 +1 -119.3405750 +1 2 1 9
H 1.09133943 +1 114.7743292 +1 -124.6654165 +1 4 3 7
H 1.09897665 +1 111.4594011 +1 168.9902655 +1 5 4 3
H 1.09867612 +1 111.7401041 +1 -118.9248671 +1 5 4 12
H 1.09894670 +1 111.4687382 +1 -169.0429449 +1 6 1 2
H 1.09866167 +1 111.7278093 +1 118.8988038 +1 6 1 14
O 1.39207596 +1 114.9805501 +1 177.2092642 +1 7 4 3
H 1.09896382 +1 111.5010692 +1 -119.8883470 +1 3 2 4
H 1.09780716 +1 111.8235901 +1 -119.4371846 +1 3 2 17
H 0.97751625 +1 112.2184787 +1 -54.4401754 +1 16 7 4
H 1.10278889 +1 115.1356997 +1 119.2278024 +1 7 4 16