Accuracy

dicyanoacetylene    603 Dicyanoacetylene

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

    

    #  Species Formula
   593 MethylhydrazineCH6N2
   594 Cyanogen (Geo)C2N2
   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 Dicyanoacetylene C4N2
   604 FumaronitrileC4H2N2
   605 1,3-DiazineC4H4N2
   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


ΔHf: 126.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 SHIFT=2 PM7
Dicyanoacetylene
 H=126.5 HR=C&P1970
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.15901814 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.37260149 +1  180.0000000 +0    0.0000000 +0     2     1     0
  C     1.21594251 +1  180.0000000 +0    0.0000000 +0     3     2     1
  C     1.37260149 +1  180.0000000 +0    0.0000000 +0     4     3     2
  N     1.15901813 +1  179.9900000 +0    0.0000000 +0     5     4     3