Accuracy

(dimethylamino) acetonitrile    610 (Dimethylamino) acetonitrile

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

    

    #  Species Formula
   600 1H-PyrazoleC3H4N2
   601 ImidazoleC3H4N2
   602 1,2-PropanediamineC3H10N2
   603 DicyanoacetyleneC4N2
   604 FumaronitrileC4H2N2
   605 1,3-DiazineC4H4N2
   606 PyrazineC4H4N2
   607 PyridazineC4H4N2
   608 SuccinonitrileC4H4N2
   609 2-Methyl-1H-imidazoleC4H6N2
   610 (Dimethylamino) acetonitrile C4H8N2
   611 1,4,5,6-TetrahydropyrimidineC4H8N2
   612 PiperazineC4H10N2
   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


ΔHf: 27.3 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
(Dimethylamino) acetonitrile
 H=27.34 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.15584554 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.45549626 +1  179.3636599 +1    0.0000000 +0     2     1     0
  N     1.48738147 +1  109.0845510 +1  163.8186605 +1     3     2     1
  C     1.47745783 +1  110.9616379 +1   70.3297879 +1     4     3     2
  C     1.47793389 +1  110.1215321 +1  122.9697212 +1     4     3     5
  H     1.12333007 +1  109.1839939 +1 -118.1533790 +1     3     2     4
  H     1.11915268 +1  110.1709352 +1 -116.6340847 +1     3     2     7
  H     1.10468119 +1  109.2485128 +1  -59.8596689 +1     5     4     3
  H     1.09928206 +1  114.8971301 +1  122.3198815 +1     5     4     9
  H     1.10426884 +1  108.6004345 +1  121.7077458 +1     5     4    10
  H     1.10338163 +1  109.2901861 +1   61.5508075 +1     6     4     3
  H     1.09953143 +1  114.8858945 +1 -122.6873016 +1     6     4    12
  H     1.10481326 +1  108.5191696 +1 -121.3612954 +1     6     4    13