Accuracy
bis(2,2,2-trinitroethyl)-amine
1472 Bis(2,2,2-trinitroethyl)-amine
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Geometry predicted using PM7
ΔHf: 11.3 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
Bis(2,2,2-trinitroethyl)-amine
H=11.3 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.54551145 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.47325834 +1 108.3629410 +1 0.0000000 +0 2 1 0
C 1.46408763 +1 113.7221997 +1 -171.2168962 +1 3 2 1
C 1.55719653 +1 106.5153867 +1 124.2636874 +1 4 3 2
N 1.53242972 +1 112.4178166 +1 -70.9942549 +1 1 2 3
N 1.53778719 +1 109.1611007 +1 170.3876580 +1 1 2 3
N 1.53957159 +1 110.2028485 +1 50.8149358 +1 1 2 3
N 1.53047947 +1 109.3926427 +1 -175.0949206 +1 5 4 3
N 1.53461879 +1 111.4901153 +1 66.2245973 +1 5 4 3
N 1.53269770 +1 109.5796866 +1 -55.9887945 +1 5 4 3
O 1.20537563 +1 116.4481879 +1 -165.1410147 +1 6 1 2
O 1.21211298 +1 116.3010014 +1 14.0945609 +1 6 1 2
O 1.21218160 +1 114.7722709 +1 32.2446116 +1 7 1 2
O 1.20273066 +1 117.2620053 +1 -148.3013977 +1 7 1 2
O 1.20502665 +1 114.9310606 +1 72.6843415 +1 8 1 2
O 1.20470694 +1 116.2158526 +1 -106.2786766 +1 8 1 2
O 1.21294851 +1 114.9965536 +1 -39.4332759 +1 9 5 4
O 1.20540618 +1 117.5662193 +1 140.1998304 +1 9 5 4
O 1.20916198 +1 116.1064228 +1 -0.3752925 +1 10 5 4
O 1.20605992 +1 116.2398587 +1 178.1765773 +1 10 5 4
O 1.20126336 +1 118.0264753 +1 128.1216343 +1 11 5 4
O 1.21293980 +1 113.9523278 +1 -51.0116028 +1 11 5 4
H 1.12353289 +1 109.3112062 +1 170.1379497 +1 2 1 6
H 1.11797634 +1 109.5253064 +1 53.5319783 +1 2 1 6
H 1.02708718 +1 111.7493548 +1 60.5149866 +1 3 2 1
H 1.11669747 +1 113.4229437 +1 4.3883144 +1 4 3 2
H 1.11956215 +1 112.6191374 +1 -116.3992377 +1 4 3 2