PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
n-methylmaleimide
1233 N-Methylmaleimide
(Previous)
(Back)
(Next)
ΔHf: -61.2 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
N-Methylmaleimide
H=-61.19 HR=NIST
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.41686544 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.51361018 +1 105.4007256 +1 0.0000000 +0 2 1 0
C 1.33933752 +1 109.1566355 +1 0.0157301 +1 3 2 1
C 1.41747059 +1 110.8623698 +1 0.0163167 +1 1 2 3
C 1.45288946 +1 124.8279895 +1 179.9776761 +1 1 2 5
O 1.19726482 +1 124.8120859 +1 179.9944680 +1 2 1 3
O 1.19707318 +1 124.8165728 +1 -179.9892229 +1 5 1 2
H 1.07520422 +1 120.2121300 +1 -179.9984495 +1 3 2 4
H 1.07530322 +1 130.4889711 +1 -179.9998358 +1 4 3 2
H 1.10622620 +1 110.6197053 +1 -119.6353165 +1 6 1 2
H 1.10624410 +1 110.6160990 +1 -119.7685184 +1 6 1 11
H 1.10701697 +1 110.3204916 +1 -120.1155284 +1 6 1 12