Accuracy

4-isopropyl-3-methylphenol    879 4-Isopropyl-3-methylphenol

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    #  Species Formula
   869 4-Phenyl-3-buten-2-oneC10H10O
   870 2-AdamantoneC10H14O
   871 2-Isopropyl-4-methylphenolC10H14O
   872 2-Isopropyl-5-methylphenolC10H14O
   873 2-Isopropyl-6-methylphenolC10H14O
   874 2-Methyl-5-isopropylphenolC10H14O
   875 3-Isopropyl-2-methylphenolC10H14O
   876 3-Methyl-2-isopropylphenolC10H14O
   877 3-Methyl-5-isopropylphenolC10H14O
   878 4-Isopropyl-2-methylphenolC10H14O
   879 4-Isopropyl-3-methylphenol C10H14O
   880 4-Methyl-3-isopropylphenolC10H14O
   881 m-tert-ButylphenolC10H14O
   882 o-sec-ButylphenolC10H14O
   883 o-tert-ButylphenolC10H14O
   884 p-sec-ButylphenolC10H14O
   885 p-tert-Butyl phenolC10H14O
   886 1-AdamantolC10H16O
   887 2-AdamantolC10H16O
   888 CamphorC10H16O
   889 Octahydro-3a-methyl-cis-2H-inden-2-oneC10H16O


ΔHf: -44.0 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
4-Isopropyl-3-methylphenol
 H=-44 HR=NIST
  C    -0.00259638 +1  -0.01402654 +1  -0.02031888 +1
  C     1.38979413 +1  -0.01313097 +1   0.14574543 +1
  C     2.02231748 +1   1.14184637 +1   0.59187125 +1
  C     1.31345951 +1   2.31080894 +1   0.88306165 +1
  C    -0.06186602 +1   2.28853499 +1   0.71233417 +1
  C    -0.73838827 +1   1.14188028 +1   0.26425740 +1
  C    -2.69110902 +1   1.08660422 +1  -1.32270548 +1
  C    -2.96916595 +1   0.31746200 +1   1.08542874 +1
  C    -0.59629466 +1  -1.29612948 +1  -0.50446583 +1
  O     3.36781451 +1   1.21405560 +1   0.77666027 +1
  H    -2.13942043 +1   1.75958436 +1  -1.98987553 +1
  H     1.96263219 +1  -0.90715785 +1  -0.07361302 +1
  H     1.83753335 +1   3.19614364 +1   1.22982708 +1
  C    -2.23667164 +1   1.26985733 +1   0.13098564 +1
  H    -2.52748082 +1   0.06804548 +1  -1.68666659 +1
  H    -3.75828234 +1   1.30622059 +1  -1.43120116 +1
  H    -2.81749458 +1  -0.73383107 +1   0.82488859 +1
  H    -2.61327182 +1   0.44895971 +1   2.11448014 +1
  H    -4.04782196 +1   0.50543285 +1   1.07667485 +1
  H    -0.37489816 +1  -2.12015927 +1   0.19036660 +1
  H    -0.18425302 +1  -1.57454690 +1  -1.48594382 +1
  H    -1.68778926 +1  -1.26193903 +1  -0.61730041 +1
  H    -2.53064119 +1   2.31415974 +1   0.43039321 +1
  H     3.81858906 +1   0.36452337 +1   0.55701106 +1
  H    -0.63248745 +1   3.19229364 +1   0.93389759 +1