(5α,14α)-17-(Cyclopropylmethyl)-6-(~123~I)Iodo-4,5-Epoxymorphinan-3,14-Diol

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Formula C20H24INO3
IUPAC Name (3r,4r,4ar,7r,7ar,12bs)-3-(cyclopropylmethyl)-7-iodo-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Molecular Mass 453.314 g·mol−1
Heat of Formation -252.7 ± 16.7 kJ·mol−1
Dipole Moment 6.27 ± 1.08 D
Volume 433.03 Å 3
Surface Area 346.61 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy 0.22 ± eV
Point Group Symmetry C1
InChIKey XEXVJJBUTPOPFH-BAPHQFHRSA-N
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