(5α,8Beta)-8-[Bis(2-Chloroethyl)Amino]-17-Methyl-6,7-Didehydro-4,5-Epoxymorphinan-3-Ol

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Properties Simple | Detailed

Formula C21H26Cl2N2O2
IUPAC Name (3s,4r,4ar,5s,7as,12bs)-5-[bis(2-chloroethyl)amino]-3-methyl-2,4,4a,5,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-9-ol
Molecular Mass 409.349 g·mol−1
Heat of Formation -239.7 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 471.02 Å 3
Surface Area 370.43 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
InChIKey GDCFYXHPIMXXNG-XSLRHLANSA-N
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Elements H C N O Cl