Accuracy
1-bromo-dodecane
4122 1-Bromo-dodecane
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Geometry predicted using PM7
ΔHf: -64.5 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
1-Bromo-dodecane
H=-64.5 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.52909442 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53449119 +1 110.8235060 +1 0.0000000 +0 2 1 0
C 1.53399842 +1 110.8283304 +1 -179.8849606 +1 3 2 1
C 1.53399095 +1 110.6404482 +1 -179.8793636 +1 4 3 2
C 1.53412515 +1 110.7274933 +1 -179.8831668 +1 5 4 3
C 1.53395580 +1 110.6359265 +1 -179.8792690 +1 6 5 4
C 1.53399232 +1 110.7103881 +1 -179.8918127 +1 7 6 5
C 1.53404938 +1 110.6271294 +1 -179.8899612 +1 8 7 6
C 1.53382618 +1 110.6270636 +1 -179.9114654 +1 9 8 7
C 1.53667166 +1 110.4469976 +1 -179.8842039 +1 10 9 8
H 1.09559920 +1 111.4417739 +1 -59.9286872 +1 1 2 3
H 1.09559145 +1 111.4329970 +1 120.1252716 +1 1 2 12
H 1.09548994 +1 111.2250834 +1 119.9304670 +1 1 2 13
H 1.10615799 +1 109.9748278 +1 121.9556988 +1 2 1 3
H 1.10626314 +1 109.9512986 +1 116.1826310 +1 2 1 15
H 1.10578919 +1 109.9406355 +1 121.9610007 +1 3 2 4
H 1.10590561 +1 109.9346971 +1 116.1207779 +1 3 2 17
H 1.10577094 +1 110.0327760 +1 121.8963030 +1 4 3 5
H 1.10589410 +1 110.0082779 +1 116.2953056 +1 4 3 19
H 1.10589338 +1 109.9978669 +1 121.8901985 +1 5 4 6
H 1.10602267 +1 109.9893848 +1 116.2624499 +1 5 4 21
H 1.10581620 +1 110.0187730 +1 121.9047721 +1 6 5 7
H 1.10594308 +1 109.9930130 +1 116.2796500 +1 6 5 23
H 1.10596494 +1 109.9966687 +1 121.8974927 +1 7 6 8
H 1.10609730 +1 109.9880648 +1 116.2548068 +1 7 6 25
H 1.10589993 +1 110.0017111 +1 121.9166140 +1 8 7 9
H 1.10602291 +1 109.9771735 +1 116.2570226 +1 8 7 27
H 1.10621593 +1 109.9705819 +1 121.9149956 +1 9 8 10
H 1.10634721 +1 109.9600484 +1 116.2182908 +1 9 8 29
H 1.10618963 +1 109.9248648 +1 121.8882645 +1 10 9 11
H 1.10629899 +1 109.9032113 +1 116.3123520 +1 10 9 31
C 1.51868392 +1 109.6204768 +1 -179.9720787 +1 11 10 9
Br 1.96281153 +1 110.4949560 +1 -179.8826989 +1 33 11 10
H 1.10862874 +1 109.7202428 +1 -122.2855611 +1 11 10 33
H 1.10867654 +1 109.7187917 +1 -115.4945511 +1 11 10 35
H 1.10072398 +1 112.3327444 +1 -118.4154962 +1 33 11 34
H 1.10081901 +1 112.2968665 +1 -123.1647372 +1 33 11 37