PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
dimethylamine
465 Dimethylamine
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ΔHf: -4.4 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.0 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 8.9 eV, REF: J. P. Maier, D. W. Turner, J. Chem. Soc., Faraday Trans. 2, 69, 521 (1973).
PM7
Dimethylamine
DR=NLM1967 I=8.93 IR=MT1973 D=1.03 HR=C&P1970 H=-4.43 S=65.27 CP=16.90
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.47803808 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09956617 +1 114.6048954 +1 0.0000000 +0 2 1 0
H 1.10315840 +1 108.6683776 +1 121.8489447 +1 2 1 3
H 1.10355049 +1 109.1229139 +1 -121.6104978 +1 2 1 3
C 1.47717244 +1 111.2932728 +1 57.8661536 +1 1 2 3
H 1.10356634 +1 109.1082049 +1 64.1792197 +1 6 1 2
H 1.10342735 +1 108.6629686 +1 116.4357573 +1 6 1 7
H 1.09966897 +1 114.6425985 +1 -121.8294828 +1 6 1 7
H 1.01915449 +1 110.0852737 +1 -122.6384191 +1 1 2 6