Accuracy
dioctylamine
583 Dioctylamine
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Geometry predicted using PM7
ΔHf: -76.5 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
Dioctylamine
H=-76.53 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52909057 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53452880 +1 110.8527032 +1 0.0000000 +0 2 1 0
C 1.53395239 +1 110.7700565 +1 179.7904477 +1 3 2 1
C 1.53404951 +1 110.6605360 +1 179.9848625 +1 4 3 2
C 1.53433569 +1 110.6480835 +1 179.7113694 +1 5 4 3
C 1.53200759 +1 110.5367433 +1 179.7235774 +1 6 5 4
C 1.53862304 +1 110.3193137 +1 179.2891712 +1 7 6 5
N 1.48239689 +1 108.9470052 +1 175.3872629 +1 8 7 6
C 1.48223027 +1 111.3693662 +1 174.9785380 +1 9 8 7
C 1.53893826 +1 108.9635737 +1 -175.1024564 +1 10 9 8
C 1.53204796 +1 110.2943243 +1 -175.5559915 +1 11 10 9
C 1.53428646 +1 110.5383688 +1 -179.5376739 +1 12 11 10
C 1.53406240 +1 110.6521368 +1 -179.8952740 +1 13 12 11
C 1.53388618 +1 110.6599510 +1 -179.9463816 +1 14 13 12
C 1.53472098 +1 110.7685289 +1 179.9120758 +1 15 14 13
C 1.52875892 +1 110.8573775 +1 -179.9805784 +1 16 15 14
H 1.09558601 +1 111.4324992 +1 -59.9550744 +1 1 2 3
H 1.09560242 +1 111.4159035 +1 120.1160506 +1 1 2 18
H 1.09543439 +1 111.2313030 +1 119.9313626 +1 1 2 19
H 1.10610319 +1 109.9735953 +1 121.9431988 +1 2 1 3
H 1.10622186 +1 109.9582681 +1 116.1937720 +1 2 1 21
H 1.10570949 +1 109.9685029 +1 -121.9570758 +1 3 2 4
H 1.10584620 +1 109.9367220 +1 -116.1455811 +1 3 2 23
H 1.10570555 +1 110.0197571 +1 121.8842440 +1 4 3 5
H 1.10584522 +1 110.0043952 +1 116.2977078 +1 4 3 25
H 1.10579423 +1 110.0376563 +1 -121.9164930 +1 5 4 6
H 1.10617575 +1 110.0102052 +1 -116.3161896 +1 5 4 27
H 1.10586555 +1 109.9857241 +1 121.9929733 +1 6 5 7
H 1.10642247 +1 109.9234284 +1 116.3103484 +1 6 5 29
H 1.10474819 +1 110.3937316 +1 -122.3521045 +1 7 6 8
H 1.10840997 +1 110.4037213 +1 -116.6223538 +1 7 6 31
H 1.11039518 +1 110.2570787 +1 124.4637049 +1 8 7 9
H 1.11269370 +1 109.9612326 +1 117.8472758 +1 8 7 33
H 1.01813022 +1 110.8242380 +1 -123.8162793 +1 9 8 10
H 1.11042454 +1 112.9802848 +1 122.8564798 +1 10 9 11
H 1.11276315 +1 107.5942268 +1 117.9422241 +1 10 9 36
H 1.10468905 +1 110.4137722 +1 -122.3288227 +1 11 10 12
H 1.10828475 +1 109.3483083 +1 -116.0434564 +1 11 10 38
H 1.10584182 +1 110.2396394 +1 121.8503595 +1 12 11 13
H 1.10643722 +1 110.0489816 +1 116.5322154 +1 12 11 40
H 1.10580431 +1 110.0936570 +1 -121.8868368 +1 13 12 14
H 1.10618263 +1 109.9936164 +1 -116.3341093 +1 13 12 42
H 1.10570410 +1 110.0668219 +1 121.8591784 +1 14 13 15
H 1.10586810 +1 110.0373937 +1 116.3412166 +1 14 13 44
H 1.10568229 +1 110.1044345 +1 -121.8811392 +1 15 14 16
H 1.10581412 +1 110.0757607 +1 -116.3135198 +1 15 14 46
H 1.10612858 +1 110.0116410 +1 121.9210145 +1 16 15 17
H 1.10627577 +1 109.9850356 +1 116.2327185 +1 16 15 48
H 1.09566106 +1 111.4158107 +1 -60.1789730 +1 17 16 15
H 1.09566208 +1 111.4270162 +1 120.1051390 +1 17 16 50
H 1.09550054 +1 111.2530775 +1 119.9430340 +1 17 16 51