Accuracy

aniline    506 Aniline

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    #  Species Formula
   496 Butyl cyanideC5H9N
   497 t-ButylnitrileC5H9N
   498 CyclopentylamineC5H11N
   499 PiperidineC5H11N
   500 N-Methyl-n-butylamineC5H13N
   501 1-CyclopentenecarbonitrileC6H7N
   502 2-CyclopentenecarbonitrileC6H7N
   503 2-Methyl pyridineC6H7N
   504 3-Methyl pyridineC6H7N
   505 4-Methyl pyridineC6H7N
   506 Aniline C6H7N
   507 2,5-Dimethyl-1H-pyrroleC6H9N
   508 CyclopentanecarbonitrileC6H9N
   509 2-MethylpiperidineC6H13N
   510 CyclohexamethylenimineC6H13N
   511 CyclohexanamineC6H13N
   512 Di-n-propylamineC6H15N
   513 DiiospropylamineC6H15N
   514 TriethylamineC6H15N
   515 Trimethylborane-TrimethylamineH18BC6N
   516 Phenyl cyanideC7H5N


ΔHf: 20.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.5 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 7.7 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Aniline
 DR=NLM1967 D=1.53 H=20.8 HR=C&P1970 I=7.7 IR=LLNBS82 S=75.98 CP=25.79
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.79321279 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39480897 +1   59.8235537 +1    0.0000000 +0     1     2     0
  C     1.39482874 +1  119.6340399 +1   -0.0028931 +1     1     3     2
  C     1.40958318 +1   60.0526511 +1   -0.0094962 +1     2     1     3
  C     1.40964595 +1  120.1267134 +1    0.0131800 +1     2     5     3
  N     1.38389249 +1  119.9510049 +1 -179.9977034 +1     2     5     3
  H     1.08455274 +1  120.2167660 +1  179.9988671 +1     1     3     5
  H     1.09006285 +1  119.6112539 +1  179.9930566 +1     3     1     4
  H     1.09000607 +1  119.6274146 +1 -179.9910959 +1     4     1     3
  H     1.08360246 +1  120.3211665 +1 -179.9856035 +1     5     2     6
  H     1.08358828 +1  120.3200476 +1  179.9902894 +1     6     2     5
  H     0.99186466 +1  121.0442527 +1    0.0514230 +1     7     2     5
  H     0.99185788 +1  121.0366341 +1 -179.9870328 +1     7     2     5