PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
methylamine
455 Methylamine
(Previous)
(Back)
(Next)
ΔHf: -5.5 kcal/mol, REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.3 Debye, REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 9.6 eV, REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
SYMMETRY PM7
Methylamine
DR=NLM1967 D=1.31 I=9.6 IR=LLNBS82 H=-5.5 HR=C&P1970 S=58.05 CP=11.97
N 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.47677815 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09902056 +1 114.7012218 +1 0.0000000 +0 2 1 0
H 1.10359852 +1 108.4301398 +1 121.9822653 +1 2 3 1
H 1.10359852 +0 108.4301398 +0 -121.9822653 +0 2 3 1
H 1.00664144 +1 111.5538098 +1 -60.7746448 +1 1 2 3
H 1.00664144 +0 111.5538098 +0 60.7746448 +0 1 2 3