Accuracy

1,2-propanediamine    495 1,2-Propanediamine

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

    

    #  Species Formula
   485 N=N-CH2-CH2N2
   486 MethylhydrazineCH6N2
   487 Cyanogen (Geo)C2N2
   488 CyanogenC2N2
   489 Dimethyldiazene (Geo)C2H6N2
   490 EthylenediamineC2H8N2
   491 1,1-DimethylhydrazineC2H8N2
   492 1,2-DimethylhydrazineC2H8N2
   493 1H-PyrazoleC3H4N2
   494 ImidazoleC3H4N2
   495 1,2-Propanediamine C3H10N2
   496 DicyanoacetyleneC4N2
   497 FumaronitrileC4H2N2
   498 PyrazineC4H4N2
   499 PyridazineC4H4N2
   500 1,3-DiazineC4H4N2
   501 SuccinonitrileC4H4N2
   502 2-Methyl-1H-imidazoleC4H6N2
   503 (Dimethylamino) acetonitrileC4H8N2
   504 1,4,5,6-TetrahydropyrimidineC4H8N2
   505 PiperazineC4H10N2


ΔHf: -12.8 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.
  

1,2-Propanediamine
 H=-12.81 HR=NIST
  N     0.03406739 +1  -0.03750886 +1   0.02700633 +1
  C     1.49656044 +1   0.12770712 +1   0.15572079 +1
  C     1.94982734 +1   1.59518872 +1   0.16388174 +1
  C     1.94040127 +1  -0.57316042 +1   1.47200461 +1
  N     1.55764128 +1  -1.99564612 +1   1.52616894 +1
  H    -0.46505941 +1   0.39821671 +1   0.78562072 +1
  H    -0.31441638 +1   0.33019319 +1  -0.84290702 +1
  H     1.96582708 +1  -0.39855243 +1  -0.71570274 +1
  H     1.51648849 +1   2.15323113 +1   1.00030424 +1
  H     3.04022560 +1   1.67160619 +1   0.24891065 +1
  H     1.66021938 +1   2.10872021 +1  -0.75900243 +1
  H     3.04129239 +1  -0.49329111 +1   1.58906464 +1
  H     1.48923006 +1  -0.06537798 +1   2.35158182 +1
  H     0.55830489 +1  -2.09616984 +1   1.39469501 +1
  H     2.01317648 +1  -2.52454676 +1   0.79857229 +1