Accuracy

pyrrolidine    486 Pyrrolidine

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

   

    #  Species Formula
   476 TrimethylamineC3H9N
   477 Trimethyamine-Borane adductH12BC3N
   478 Trimethylborane-Ammonia adductH12BC3N
   479 (E)-2-ButenenitrileC4H5N
   480 (Z)-2-ButenenitrileC4H5N
   481 3-ButenenitrileC4H5N
   482 Pyrrole (Geo)C4H5N
   483 PyrroleC4H5N
   484 ButanenitrileC4H7N
   485 Isobutane nitrileC4H7N
   486 Pyrrolidine C4H9N
   487 2-ButylamineC4H11N
   488 2-Methyl-1-propylamineC4H11N
   489 N-ButylamineC4H11N
   490 t-ButylamineC4H11N
   491 Pyridine (Geo)C5H5N
   492 PyridineC5H5N
   493 N-Methyl pyrroleC5H7N
   494 1,2,3,6-TetrahydropyridineC5H9N
   495 2-CyanobutaneC5H9N
   496 Butyl cyanideC5H9N


ΔHf: -0.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Pyrrolidine
 H=-0.8 HR=C&P1970
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54000450 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54855650 +1  105.5045539 +1    0.0000000 +0     2     1     0
  C     1.54828716 +1  105.4978638 +1   -0.0026328 +1     1     2     3
  N     1.48502170 +1  107.8797087 +1  -16.5080991 +1     4     1     2
  H     1.10015690 +1  111.5933778 +1  120.8019501 +1     1     2     3
  H     1.10057849 +1  111.2023431 +1 -120.6039068 +1     1     2     3
  H     1.10022969 +1  111.5781219 +1 -120.7450882 +1     2     1     3
  H     1.10053754 +1  111.2177241 +1  120.6553080 +1     2     1     3
  H     1.11082284 +1  110.7495248 +1 -100.7880288 +1     3     2     1
  H     1.10351371 +1  112.3980871 +1  139.3667854 +1     3     2     1
  H     1.11089417 +1  110.7187838 +1  100.7233112 +1     4     1     2
  H     1.10345387 +1  112.4190239 +1 -139.4393580 +1     4     1     2
  H     1.01741942 +1  110.8468363 +1  -93.2370144 +1     5     4     1