Accuracy
di-n-propylamine
512 Di-n-propylamine
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Geometry predicted using PM7
ΔHf: -27.8 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
Di-n-propylamine
H=-27.84 HR=NIST
N 0.00099046 +1 0.01366208 +1 0.10698083 +1
C -1.30852013 +1 0.70274796 +1 0.18176635 +1
C -2.42728359 +1 -0.35448701 +1 0.16650796 +1
C -3.79839273 +1 0.31548025 +1 0.13214042 +1
C 1.12558995 +1 0.97620001 +1 0.17907523 +1
C 2.45077240 +1 0.19271856 +1 0.16818607 +1
C 3.63922115 +1 1.15000913 +1 0.13362735 +1
H 0.08110530 +1 -0.69102725 +1 0.83731164 +1
H -1.40446059 +1 1.35207782 +1 1.07707866 +1
H -1.39820143 +1 1.36184147 +1 -0.70978107 +1
H -2.29651358 +1 -1.01352201 +1 -0.71547693 +1
H -2.34447323 +1 -1.01399539 +1 1.04969843 +1
H -3.95467340 +1 0.96344849 +1 1.00172632 +1
H -3.92259680 +1 0.93052481 +1 -0.76651995 +1
H -4.60156142 +1 -0.43062553 +1 0.13030650 +1
H 1.06755108 +1 1.63499507 +1 -0.71554573 +1
H 1.07415747 +1 1.63417084 +1 1.07195257 +1
H 2.51437451 +1 -0.46632580 +1 1.05306701 +1
H 2.47085026 +1 -0.48102044 +1 -0.71211540 +1
H 3.62435515 +1 1.77644242 +1 -0.76597092 +1
H 3.64705213 +1 1.81739786 +1 1.00246283 +1
H 4.58784951 +1 0.60051647 +1 0.13284982 +1