Accuracy

n-propylamine    373 n-Propylamine

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

   

    #  Species Formula
   363 EthylamineC2H7N
   364 Dimethylamine (Geo)C2H7N
   365 CH.C.CNHC3N
   366 CH.C.CN (Geo)HC3N
   367 AcrylonitrileC3H3N
   368 Acrylonitrile (Geo)C3H3N
   369 Ethyl cyanideC3H5N
   370 CyclopropylamineC3H7N
   371 IsopropylamineC3H9N
   372 Trimethylamine (Geo)C3H9N
   373 n-Propylamine C3H9N
   374 TrimethylamineC3H9N
   375 (E)-2-ButenenitrileC4H5N
   376 (Z)-2-ButenenitrileC4H5N
   377 3-ButenenitrileC4H5N
   378 Pyrrole (Geo)C4H5N
   379 PyrroleC4H5N
   380 ButanenitrileC4H7N
   381 Isobutane nitrileC4H7N
   382 PyrrolidineC4H9N
   383 2-ButylamineC4H11N


ΔHf: -16.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 GEO-OK
n-Propylamine
 H=-16.8 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52662937 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54256694 +1  110.4259028 +1    0.0000000 +0     2     1     0
  H     1.09619718 +1  111.5584849 +1   60.2170861 +1     1     2     3
  H     1.09631097 +1  111.2680398 +1 -179.9313492 +1     1     2     3
  H     1.09621116 +1  111.5671237 +1  -60.0700895 +1     1     2     3
  H     1.10539690 +1  110.0610152 +1  121.7601397 +1     2     1     3
  H     1.10539442 +1  110.0503744 +1 -121.7440329 +1     2     1     3
  H     1.11207140 +1  110.2778065 +1  -58.4937514 +1     3     2     1
  H     1.11205120 +1  110.2881310 +1   58.5651295 +1     3     2     1
  N     1.47491768 +1  113.7050137 +1 -179.9752551 +1     3     2     1
  H     1.00603068 +1  111.9724912 +1   61.2723359 +1    11     3     2
  H     1.00604419 +1  111.9802948 +1  -61.1444150 +1    11     3     2