Accuracy
n-methylaniline
522 N-Methylaniline
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Geometry predicted using PM7
ΔHf: 20.1 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-Methylaniline
H=20.1 HR=NIST
C 0.00128181 +1 -0.05578098 +1 0.02876038 +1
N -1.43824826 +1 0.15858199 +1 -0.16274216 +1
C -2.10066105 +1 -0.57997383 +1 -1.15031243 +1
C -1.42077145 +1 -1.13789606 +1 -2.24751251 +1
C -2.14235596 +1 -1.76130602 +1 -3.25931402 +1
C -3.53107083 +1 -1.85136776 +1 -3.19391786 +1
C -4.20530284 +1 -1.30948663 +1 -2.09941383 +1
C -3.50648930 +1 -0.68049942 +1 -1.07828017 +1
H 0.25861003 +1 -1.10778615 +1 0.23724409 +1
H 0.55164524 +1 0.26567260 +1 -0.87452141 +1
H 0.35668999 +1 0.56771358 +1 0.86607796 +1
H -1.94675637 +1 0.29963412 +1 0.70114899 +1
H -0.34047715 +1 -1.07824716 +1 -2.31762904 +1
H -1.61165294 +1 -2.18395756 +1 -4.11235149 +1
H -4.08491991 +1 -2.33927581 +1 -3.98933948 +1
H -5.29145894 +1 -1.38209745 +1 -2.04408207 +1
H -4.04158546 +1 -0.25993321 +1 -0.23349999 +1