(+)-Mesembrine

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Formula C17H23NO3
IUPAC Name (1r,3ar,7ar)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
Molecular Mass 289.369 g·mol−1
Heat of Formation -408.7 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 357.27 Å 3
Surface Area 306.7 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,7ar)-3a-(3,4-dimethoxyphenyl)-1-methyl-2,3,4,5,7,7a-hexahydroindol-6-one
  • 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-6h-indol-6-one
CAS Number(s)
  • 468-53-1
InChIKey DAHIQPJTGIHDGO-IAGOWNOFSA-N
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