β-Chloromorphide

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Properties Simple | Detailed

Formula C17H18ClNO2
IUPAC Name (3s,4r,4ar,5s,7as,12bs)-5-chloro-3-methyl-2,4,4a,5,7a,13-hexahydro-1h-4,12-methanobenzofuro[3,2-e]isoquinoline-9-ol
Molecular Mass 303.783 g·mol−1
Heat of Formation -205.4 ± 16.7 kJ·mol−1
Dipole Moment 1.69 ± 1.08 D
Volume 338.07 Å 3
Surface Area 279.01 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • 8-chloro-6,7-didehydro-4,5-epoxy-17-methylmorphinan-3-ol
  • chloromorphide
  • morphide, beta-chloro-
  • morphinan-3-ol, 8-beta-chloro-6,7-didehydro-4,5-alpha-epoxy-17-methyl-
CAS Number(s)
  • 60048-95-5
InChIKey VSGXFWNZWWGPCT-ZLLBLOTGSA-N
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Elements H C N O Cl