PM7 Accuracy

pyridine    494 Pyridine

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    #  Species Formula
   484 Pyrrole (Geo)C4H5N
   485 PyrroleC4H5N
   486 ButanenitrileC4H7N
   487 Isobutane nitrileC4H7N
   488 PyrrolidineC4H9N
   489 2-ButylamineC4H11N
   490 2-Methyl-1-propylamineC4H11N
   491 N-ButylamineC4H11N
   492 t-ButylamineC4H11N
   493 Pyridine (Geo)C5H5N
   494 Pyridine C5H5N
   495 N-Methyl pyrroleC5H7N
   496 1,2,3,6-TetrahydropyridineC5H9N
   497 2-CyanobutaneC5H9N
   498 Butyl cyanideC5H9N
   499 t-ButylnitrileC5H9N
   500 CyclopentylamineC5H11N
   501 PiperidineC5H11N
   502 N-Methyl-n-butylamineC5H13N
   503 1-CyclopentenecarbonitrileC6H7N
   504 2-CyclopentenecarbonitrileC6H7N


DHf: 34.6 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 2.2 Debye,     REF: G. O. Sorensen, L. Mahler, J. Rastrup-Andersen, J. Mol. Struct., 20, 119 (1974).
I.P.: 9.7 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.
  
 GEO-OK PM7
Pyridine
 DR=SMRA1974 I=9.67 IR=LLNBS82 D=2.22 H=34.6 HR=C&P1970
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.34627489  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40127622  1  122.5804798  1    0.0000000  0     2     1     0
  C     1.39362607  1  118.5214304  1    0.0000000  0     3     2     1
  C     1.39341350  1  119.2786191  1    0.0000000  0     4     3     2
  C     1.40127312  1  118.4726108  1    0.0000000  0     5     4     3
  H     1.08942654  1  120.3380441  1  180.0000000  0     4     3     2
  H     1.08553771  1  121.0028768  1 -180.0000000  0     5     4     3
  H     1.09609906  1  121.6127867  1 -180.0000000  0     6     5     4
  H     1.08559514  1  120.5153177  1  180.0000000  0     3     2     1
  H     1.09602183  1  115.7003573  1 -180.0000000  0     2     1     6