PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

2-methyl-1-propylamine    490 2-Methyl-1-propylamine

(Previous)     (Back)     (Next)        

   

    #  Species Formula
   480 Trimethylborane-Ammonia adductH12BC3N
   481 (E)-2-ButenenitrileC4H5N
   482 (Z)-2-ButenenitrileC4H5N
   483 3-ButenenitrileC4H5N
   484 Pyrrole (Geo)C4H5N
   485 PyrroleC4H5N
   486 ButanenitrileC4H7N
   487 Isobutane nitrileC4H7N
   488 PyrrolidineC4H9N
   489 2-ButylamineC4H11N
   490 2-Methyl-1-propylamine C4H11N
   491 N-ButylamineC4H11N
   492 t-ButylamineC4H11N
   493 Pyridine (Geo)C5H5N
   494 PyridineC5H5N
   495 N-Methyl pyrroleC5H7N
   496 1,2,3,6-TetrahydropyridineC5H9N
   497 2-CyanobutaneC5H9N
   498 Butyl cyanideC5H9N
   499 t-ButylnitrileC5H9N
   500 CyclopentylamineC5H11N


ΔHf: -23.6 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-Methyl-1-propylamine
 H=-23.57 HR=NIST
  C    -0.01033831 +1   0.00562191 +1  -0.01477054 +1
  C    -1.05824031 +1   1.12127727 +1   0.01191240 +1
  C    -0.69242687 +1  -1.36691299 +1   0.00942541 +1
  C     0.87002779 +1   0.11607454 +1  -1.28203285 +1
  N     1.78848545 +1   1.27367419 +1  -1.16955100 +1
  H     0.64040360 +1   0.10260819 +1   0.88750506 +1
  H    -0.58160388 +1   2.10242518 +1  -0.12668980 +1
  H    -1.79421223 +1   1.00610701 +1  -0.79038800 +1
  H    -1.59869608 +1   1.14079205 +1   0.96244499 +1
  H    -1.31730843 +1  -1.51875759 +1  -0.87746511 +1
  H     0.03765898 +1  -2.18139344 +1   0.04864125 +1
  H    -1.34283466 +1  -1.46596223 +1   0.88584684 +1
  H     1.41116998 +1  -0.83958700 +1  -1.44890111 +1
  H     0.22945025 +1   0.28414497 +1  -2.17539750 +1
  H     2.29118401 +1   1.27052523 +1  -0.29800070 +1
  H     2.45136588 +1   1.29431653 +1  -1.92624785 +1