Accuracy

diiospropylamine    513 Diiospropylamine

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

   

    #  Species Formula
   503 2-Methyl pyridineC6H7N
   504 3-Methyl pyridineC6H7N
   505 4-Methyl pyridineC6H7N
   506 AnilineC6H7N
   507 2,5-Dimethyl-1H-pyrroleC6H9N
   508 CyclopentanecarbonitrileC6H9N
   509 2-MethylpiperidineC6H13N
   510 CyclohexamethylenimineC6H13N
   511 CyclohexanamineC6H13N
   512 Di-n-propylamineC6H15N
   513 Diiospropylamine C6H15N
   514 TriethylamineC6H15N
   515 Trimethylborane-TrimethylamineH18BC6N
   516 Phenyl cyanideC7H5N
   517 1-CyclohexenecarbonitrileC7H9N
   518 2,6-DimethylpyridineC7H9N
   519 2-CyclohexenecarbonitrileC7H9N
   520 BenzylamineC7H9N
   521 m-ToluidineC7H9N
   522 N-MethylanilineC7H9N
   523 o-ToluidineC7H9N


ΔHf: -32.6 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
Diiospropylamine
 H=-32.58 HR=NIST
  C    -0.12024817 +1   0.53831138 +1   0.00680745 +1
  C    -1.55703935 +1   0.77337603 +1  -0.49892324 +1
  C    -0.03689120 +1  -0.85050938 +1   0.67067017 +1
  N     0.77673895 +1   0.70705957 +1  -1.15216406 +1
  C     2.17402657 +1   1.06828086 +1  -0.84566784 +1
  C     3.07369385 +1  -0.13952649 +1  -0.51751033 +1
  C     2.72910152 +1   1.79538031 +1  -2.08592196 +1
  H     0.13050408 +1   1.32361870 +1   0.76555722 +1
  H    -1.63342691 +1   1.75051978 +1  -0.99384339 +1
  H    -1.85576191 +1   0.01855014 +1  -1.23274658 +1
  H    -2.27414842 +1   0.75048113 +1   0.32536457 +1
  H    -0.25305618 +1  -1.65031076 +1  -0.04399500 +1
  H     0.95448251 +1  -1.03539553 +1   1.09357759 +1
  H    -0.76341395 +1  -0.93701593 +1   1.48565038 +1
  H     0.71868642 +1  -0.07318019 +1  -1.79645346 +1
  H     2.17680421 +1   1.77683272 +1   0.02219738 +1
  H     2.75073391 +1  -0.64423299 +1   0.39766992 +1
  H     3.06510672 +1  -0.87688432 +1  -1.32581719 +1
  H     4.11205221 +1   0.17544849 +1  -0.37232695 +1
  H     2.78474024 +1   1.12975444 +1  -2.95246006 +1
  H     2.07259617 +1   2.63068566 +1  -2.36322800 +1
  H     3.72808172 +1   2.19453436 +1  -1.89543194 +1