Accuracy

1,3-diazine    605 1,3-Diazine

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

    

    #  Species Formula
   595 CyanogenC2N2
   596 Dimethyldiazene (Geo)C2H6N2
   597 1,1-DimethylhydrazineC2H8N2
   598 1,2-DimethylhydrazineC2H8N2
   599 EthylenediamineC2H8N2
   600 1H-PyrazoleC3H4N2
   601 ImidazoleC3H4N2
   602 1,2-PropanediamineC3H10N2
   603 DicyanoacetyleneC4N2
   604 FumaronitrileC4H2N2
   605 1,3-Diazine C4H4N2
   606 PyrazineC4H4N2
   607 PyridazineC4H4N2
   608 SuccinonitrileC4H4N2
   609 2-Methyl-1H-imidazoleC4H6N2
   610 (Dimethylamino) acetonitrileC4H8N2
   611 1,4,5,6-TetrahydropyrimidineC4H8N2
   612 PiperazineC4H10N2
   613 2-AminopyridineC5H6N2
   614 3-AminopyridineC5H6N2
   615 4-AminopyridineC5H6N2


ΔHf: 47.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 GEO-OK PM7
1,3-Diazine
 H=47.0 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40088650 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.34712630 +1  121.5678626 +1    0.0000000 +0     2     1     0
  C     1.35309482 +1  117.7274624 +1    0.0081301 +1     3     2     1
  N     1.35262436 +1  124.3565430 +1   -0.0021006 +1     4     3     2
  C     1.34730372 +1  117.7577346 +1   -0.0069189 +1     5     4     3
  H     1.10161340 +1  117.7458310 +1 -179.9993883 +1     4     3     2
  H     1.09738641 +1  116.1164835 +1  179.9980618 +1     6     5     4
  H     1.08384993 +1  121.4770994 +1 -179.9934006 +1     1     6     5
  H     1.09745757 +1  122.2822104 +1  179.9940454 +1     2     1     6