Accuracy

4-cyanopyridine    623 4-Cyanopyridine

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

   

    #  Species Formula
   613 2-AminopyridineC5H6N2
   614 3-AminopyridineC5H6N2
   615 4-AminopyridineC5H6N2
   616 Dimethyl propanedinitrileC5H6N2
   617 2-Ethyl-1H-imidazoleC5H8N2
   618 DiethylcyanamideC5H10N2
   619 ButylmethyldiazeneC5H12N2
   620 N,N-Dimethyl-1,3-propanediamineC5H14N2
   621 2-CyanopyridineC6H4N2
   622 3-CyanopyridineC6H4N2
   623 4-Cyanopyridine C6H4N2
   624 2,3-Dimethyl pyrazineC6H8N2
   625 HexanedinitrileC6H8N2
   626 PhenylhydrazineC6H8N2
   627 3(Dimethylamino) propanenitrileC6H12N2
   628 TetramethyldiazetineC6H12N2
   629 TriethylenediamineC6H12N2
   630 1,2-DiisopropyldiazeneC6H14N2
   631 DipropyldiazeneC6H14N2
   632 1H-BenzimidazoleC7H6N2
   633 1H-IndazoleC7H6N2


ΔHf: 67.8 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
4-Cyanopyridine
 H=67.76 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.34519548 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40146306 +1  122.6291529 +1    0.0000000 +0     2     1     0
  C     1.39734870 +1  118.0219573 +1    0.0168857 +1     3     2     1
  C     1.39741292 +1  119.8065026 +1   -0.0018774 +1     4     3     2
  C     1.34531871 +1  118.8906629 +1   -0.0091997 +1     1     2     3
  C     1.42369776 +1  120.0892207 +1  179.9928064 +1     4     3     5
  N     1.15682169 +1  150.3455239 +1  179.9827953 +1     7     3     4
  H     1.09784247 +1  115.7782428 +1  179.9993189 +1     2     1     3
  H     1.08796586 +1  120.8060790 +1 -179.9982939 +1     3     2     4
  H     1.09780544 +1  115.7914811 +1  179.9911942 +1     6     1     2
  H     1.08803572 +1  121.1721034 +1  179.9918030 +1     5     4     3