Accuracy
3-iodo-1-propene
5822 3-Iodo-1-propene
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Geometry predicted using PM7
ΔHf: 23.8 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
3-Iodo-1-propene
H=23.8 HR=NIST
C -0.00388695 +1 -0.00184454 +1 -0.00134508 +1
H 1.05392971 +1 0.30327617 +1 0.06202842 +1
H -0.59683300 +1 0.88507076 +1 -0.28303113 +1
C -0.50535553 +1 -0.64233146 +1 1.24060531 +1
I -0.14347975 +1 -1.38784603 +1 -1.66798119 +1
H 1.37958073 +1 -1.05801135 +1 2.15409704 +1
H -0.06066352 +1 -1.56682823 +1 3.10360260 +1
C 0.30193625 +1 -1.10352932 +1 2.19659626 +1
H -1.59154380 +1 -0.70854843 +1 1.32607242 +1