PM7 Accuracy

   797 Bicyclo[2.2.1]heptan-7-ol

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    #  Species Formula
   787 BenzaldehydeC7H6O
   788 AnisoleC7H8O
   789 m-CresolC7H8O
   790 o-CresolC7H8O
   791 p-CresolC7H8O
   792 2-Methyl-5-hexen-3-yn-2-olC7H10O
   793 2-NorbornanoneC7H10O
   794 cis-2,3-Epoxybicyclo[2.2.1]heptaneC7H10O
   795 Norbornan-7-oneC7H10O
   796 1-Methoxy cyclohexeneC7H12O
   797 Bicyclo[2.2.1]heptan-7-ol C7H12O
   798 cis-1,2-EpoxycycloheptaneC7H12O
   799 CycloheptanoneC7H12O
   800 2,4-Dimethyl 3-pentanoneC7H14O
   801 2-Methyl cis-cyclohexanolC7H14O
   802 3,3-Dimethyl-2-pentanoneC7H14O
   803 4-HeptanoneC7H14O
   804 HeptanalC7H14O
   805 t-Butyl ethyl ketoneC7H14O
   806 n-HeptanolC7H16O
   807 t-Butyl isopropyl etherC7H16O



DHf: -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.

  

Bicyclo[2.2.1]heptan-7-ol
 H=-52.0 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0                     0.0000
  C     1.55401322  1    0.0000000  0    0.0000000  0     1     0     0   0.0000
  C     1.55731075  1  103.6289618  1    0.0000000  0     2     1     0   0.0000
  C     1.55415531  1  103.6306809  1    0.0056207  1     3     2     1   0.0000
  C     1.55279063  1  108.2105813  1   70.3687869  1     4     3     2   0.0000
  C     1.55288130  1  108.2063519  1  -70.3709924  1     1     2     3   0.0000
  C     1.56624953  1   99.9719918  1 -106.6266483  1     4     3     5   0.0000
  H     1.09342395  1  114.6358498  1 -128.7946228  1     1     2     6   0.0000
  H     1.09933334  1  111.3350013  1 -120.0481095  1     2     1     3   0.0000
  H     1.09839205  1  111.8230904  1 -119.3624837  1     2     1     9   0.0000
  H     1.09348943  1  114.6359750  1 -124.5769320  1     4     3     7   0.0000
  H     1.09916554  1  111.3467764  1  169.1386530  1     5     4     3   0.0000
  H     1.09897915  1  111.7018257  1 -118.9652690  1     5     4    12   0.0000
  H     1.09915221  1  111.3455986  1 -169.0923494  1     6     1     2   0.0000
  H     1.09894029  1  111.6837577  1  118.9467097  1     6     1    14   0.0000
  O     1.41710146  1  115.6155671  1  178.3351281  1     7     4     3   0.0000
  H     1.09931691  1  111.5902917  1 -119.8825579  1     3     2     4   0.0000
  H     1.09842793  1  111.8032115  1 -119.5348864  1     3     2    17   0.0000
  H     0.97699546  1  112.0182382  1  -54.4889661  1    16     7     4   0.0000
  H     1.10382696  1  115.0470339  1  118.9311911  1     7     4    16   0.0000