(5α)-17-(Cyclopropylmethyl)-3-Hydroxy-7,8-Didehydro-4,5-Epoxymorphinan-6-One

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Formula C20H21NO3
IUPAC Name (4r,4ar,7ar,12bs)-3-(cyclopropylmethyl)-9-hydroxy-1,2,4,4a,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Molecular Mass 323.386 g·mol−1
Heat of Formation -172.1 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 377.36 Å 3
Surface Area 314.41 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • morphinan-6-one, 17-(cyclopropylmethyl)-7,8-didehydro-4,5-epoxy-3-hydroxy-, (5alpha)-
  • n-(cyclopropylmethyl)normorphinone
  • n-cpmnm
CAS Number(s)
  • 91265-68-8
InChIKey LJHOJDWHEHQATH-ILWKUFEGSA-N
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