PM7 Accuracy

3-methyl pyridine    506 3-Methyl pyridine

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   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
   505 2-Methyl pyridineC6H7N
   506 3-Methyl pyridine C6H7N
   507 4-Methyl pyridineC6H7N
   508 AnilineC6H7N
   509 2,5-Dimethyl-1H-pyrroleC6H9N
   510 CyclopentanecarbonitrileC6H9N
   511 2-MethylpiperidineC6H13N
   512 CyclohexamethylenimineC6H13N
   513 CyclohexanamineC6H13N
   514 Di-n-propylamineC6H15N
   515 DiiospropylamineC6H15N
   516 TriethylamineC6H15N


DHf: 24.8 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
3-Methyl pyridine
 H=24.76 HR=NIST
  N     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.34294704  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40687455  1  122.7695595  1    0.0000000  0     2     1     0
  C     1.39532723  1  118.0818122  1    0.0242377  1     3     2     1
  C     1.39361896  1  119.3923196  1   -0.0101391  1     4     3     2
  C     1.39984432  1  118.6621287  1   -0.0039670  1     5     4     3
  C     1.48617232  1  120.0786920  1 -179.9889676  1     3     2     4
  H     1.08875288  1  120.4190976  1 -179.9997270  1     4     3     5
  H     1.08593440  1  120.8024292  1 -179.9961945  1     5     4     6
  H     1.09531055  1  121.8144933  1 -179.9870743  1     6     5     4
  H     1.10131345  1  111.4436288  1  -59.8543120  1     7     3     2
  H     1.10128307  1  111.4386391  1  119.5719981  1     7     3    11
  H     1.09893476  1  112.8365771  1  120.2201855  1     7     3    12
  H     1.09547234  1  115.8049125  1 -179.9910905  1     2     1     3