Accuracy
8-oxatricyclo(3,2,1,0(1,5))octane
831 8-Oxatricyclo[3,2,1,0(1,5)]octane
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Geometry predicted using PM7
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# | Species | Formula |
821 | Phenetole | C8H10O | |
822 | 1-Methylnorcamphor | C8H12O | |
823 | Bicyclo[2.2.2]octanone | C8H12O | |
824 | Bicyclo[3.2.1]octan-2-one | C8H12O | |
825 | Bicyclo[3.2.1]octan-3-one | C8H12O | |
826 | Bicyclo[3.2.1]octan-8-one | C8H12O | |
827 | cis-Bicyclo[3.3.0]-octan-2-one | C8H12O | |
828 | trans-Bicyclo[3.3.0]-octan-2-one | C8H12O | |
829 | 3-Oxabicyclo[3,2,2]nonane | C8H14O | |
830 | 6-Methyl-5-hepten-2-one | C8H14O | |
831 | 8-Oxatricyclo[3,2,1,0(1,5)]octane | C8H14O | |
832 | Bicyclo(2.2.2)octan-2-ol | C8H14O | |
833 | cis-1,2-Epoxycyclooctane | C8H14O | |
834 | Cyclooctanone | C8H14O | |
835 | 2,2,4-Trimethyl-3-pentanone | C8H16O | |
836 | 2-Octanone | C8H16O | |
837 | 3,3,4-Trimethyl pentan-2-one | C8H16O | |
838 | 3-Octanone | C8H16O | |
839 | 4-Octanone | C8H16O | |
840 | Octanal | C8H16O | |
841 | 1-Octanol | C8H18O | |
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ΔHf: 6.4 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
8-Oxatricyclo[3,2,1,0(1,5)]octane
H=6.4 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54746909 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.61722210 +1 103.5957278 +1 0.0000000 +0 2 1 0
C 1.61850112 +1 122.0637588 +1 31.8762653 +1 3 2 1
C 1.54747437 +1 103.6019928 +1 -31.9388414 +1 4 3 2
C 1.54825012 +1 149.3779728 +1 151.0603059 +1 5 4 3
C 1.61747688 +1 103.6478166 +1 -151.1519654 +1 6 5 4
C 1.54757000 +1 149.3174950 +1 -151.3228606 +1 1 2 3
O 1.42095683 +1 92.3868593 +1 98.6621941 +1 1 2 8
H 1.13118871 +1 102.3691989 +1 118.4714813 +1 1 2 9
H 1.09313199 +1 113.8568683 +1 -118.9575907 +1 2 1 3
H 1.09804731 +1 111.5586732 +1 -123.3264314 +1 2 1 11
H 1.09883299 +1 106.5798227 +1 -122.4812392 +1 3 2 4
H 1.09825446 +1 106.4925652 +1 -115.2495106 +1 3 2 13
H 1.09302709 +1 109.5486122 +1 -121.8231976 +1 4 3 5
H 1.09791453 +1 109.4700778 +1 -119.0437499 +1 4 3 15
H 1.13104788 +1 102.4185194 +1 143.1633005 +1 5 4 6
H 1.09309628 +1 113.8460559 +1 -118.9707523 +1 6 5 7
H 1.09800256 +1 111.5327094 +1 -123.3065240 +1 6 5 18
H 1.09867903 +1 106.5921363 +1 -90.4813260 +1 7 6 5
H 1.09829843 +1 106.4689104 +1 -115.1761332 +1 7 6 20
H 1.09306503 +1 113.8825606 +1 -89.6110715 +1 8 1 2
H 1.09795301 +1 111.5923093 +1 123.3938901 +1 8 1 22