(+)-Chimonanthine

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Properties Simple | Detailed

Formula C22H26N4
IUPAC Name (3r,3ar,8br)-8b-[(3s,3ar,8br)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
Molecular Mass 346.469 g·mol−1
Heat of Formation 255.0 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 426.84 Å 3
Surface Area 331.84 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-chimonanthine
  • (3ar,3a'r,8ar,8a'r)-1,1'-dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1h,1'h-3a,3a'-bipyrrolo[2,3-b]indole
  • (3ar,8br)-8b-[(3ar,8br)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole
CAS Number(s)
  • 5545-89-1
InChIKey HOYXPMHLHJOGHD-CZYKHXBRSA-N
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Elements H C N