Accuracy
cyclopropylamine
472 Cyclopropylamine
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Geometry predicted using PM7
ΔHf: 18.4 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
Cyclopropylamine
H=18.42 HR=NIST
C 0.00022729 +1 0.00918268 +1 0.00915952 +1
C 1.50549970 +1 0.15396931 +1 0.10533013 +1
C 0.64916524 +1 1.38993421 +1 -0.03969365 +1
N -0.73839083 +1 -0.44898909 +1 1.16462716 +1
H -0.43200106 +1 -0.40382045 +1 -0.91480513 +1
H 2.12641202 +1 -0.17460329 +1 -0.72299902 +1
H 2.01489716 +1 -0.04497498 +1 1.04394826 +1
H 0.65618558 +1 1.94808455 +1 -0.96927855 +1
H 0.54548503 +1 2.07060028 +1 0.79716000 +1
H -0.31958985 +1 -0.18242057 +1 2.03996204 +1
H -1.70077469 +1 -0.14849169 +1 1.14707016 +1