Accuracy
t-butylnitrile
393 t-Butylnitrile
(Previous)
(Back)
(Next)
Geometry predicted using PM7
ΔHf: -0.8 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.
t-Butylnitrile
H=-0.79 HR=NIST
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53663926 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.53621218 +1 110.3593849 +1 0.0000000 +0 1 2 0
C 1.53678852 +1 110.2678494 +1 122.0785525 +1 1 2 3
C 1.46125485 +1 108.5876242 +1 118.8700111 +1 1 2 4
N 1.15632699 +1 143.3369720 +1 179.8736750 +1 5 2 1
H 1.09688169 +1 111.6340414 +1 58.6021188 +1 2 1 3
H 1.09687185 +1 111.6272336 +1 120.2463434 +1 2 1 7
H 1.09622739 +1 111.0605568 +1 119.8758903 +1 2 1 8
H 1.09687598 +1 111.6369258 +1 -178.8361303 +1 3 1 2
H 1.09689722 +1 111.6408795 +1 120.2481531 +1 3 1 10
H 1.09627686 +1 111.0404524 +1 119.8691220 +1 3 1 11
H 1.09684140 +1 111.6350348 +1 58.6709888 +1 4 1 2
H 1.09682820 +1 111.6269133 +1 120.2415674 +1 4 1 13
H 1.09619454 +1 111.0573405 +1 119.8799929 +1 4 1 14