Accuracy
n,n-dimethyl aniline
533 N,N-Dimethyl aniline
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Geometry predicted using PM7
ΔHf: 24.0 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,N-Dimethyl aniline
H=24.02 HR=NIST
C -0.01760960 +1 -0.00410197 +1 0.03372974 +1
C -1.16576547 +1 -0.78506446 +1 0.08062857 +1
C -1.08099707 +1 -2.17552669 +1 0.10717194 +1
C 0.17269488 +1 -2.78183334 +1 0.08271306 +1
C 1.33231906 +1 -2.01760631 +1 0.03407783 +1
C 1.25531831 +1 -0.61016997 +1 0.00108594 +1
N 2.41392456 +1 0.16771114 +1 -0.18899100 +1
C 3.69319331 +1 -0.45448570 +1 0.19544703 +1
C 2.33711582 +1 1.58097351 +1 0.22135448 +1
H -0.11510681 +1 1.07602916 +1 0.01123466 +1
H -2.14333677 +1 -0.30298889 +1 0.09799560 +1
H -1.98139490 +1 -2.77981968 +1 0.14632509 +1
H 0.24861869 +1 -3.86876137 +1 0.10124165 +1
H 2.29163112 +1 -2.52332495 +1 0.01200538 +1
H 3.71064345 +1 -0.82256344 +1 1.23371610 +1
H 3.90041677 +1 -1.29844118 +1 -0.48768177 +1
H 4.51982921 +1 0.26353405 +1 0.06773443 +1
H 1.59096464 +1 2.10233470 +1 -0.40607129 +1
H 2.06861933 +1 1.71517185 +1 1.28115310 +1
H 3.30386913 +1 2.07996959 +1 0.03804168 +1