Accuracy

2-butylamine    487 2-Butylamine

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

    

    #  Species Formula
   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 PyrrolidineC4H9N
   487 2-Butylamine C4H11N
   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
   497 t-ButylnitrileC5H9N


ΔHf: -25.4 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
2-Butylamine
 H=-25.4 HR=NIST
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47960581 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54263525 +1  112.2743570 +1    0.0000000 +0     2     1     0
  C     1.54494708 +1  109.6594210 +1  122.2549750 +1     2     1     3
  C     1.52788914 +1  110.9129229 +1   68.5247621 +1     4     2     1
  H     1.00539078 +1  112.2590255 +1  -69.3786549 +1     1     2     3
  H     1.00579689 +1  111.9319369 +1  123.0124027 +1     1     2     6
  H     1.12145505 +1  106.5891229 +1  118.2568439 +1     2     1     4
  H     1.09384907 +1  111.6174736 +1   63.5366243 +1     3     2     1
  H     1.09484914 +1  111.0444006 +1  119.9605342 +1     3     2     9
  H     1.09417026 +1  111.3717396 +1  119.4014610 +1     3     2    10
  H     1.10549620 +1  109.5888233 +1  121.6389303 +1     4     2     5
  H     1.10537872 +1  110.1522590 +1  116.2301144 +1     4     2    12
  H     1.10003798 +1  110.6341272 +1  -54.4340679 +1     5     4     2
  H     1.09486811 +1  111.6087659 +1  119.0786795 +1     5     4    14
  H     1.09400969 +1  111.5418233 +1  120.8521749 +1     5     4    15