PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
diiospropylamine
515 Diiospropylamine
(Previous)
(Back)
(Next)
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