(13Bs)-14-Methyl-8,13,13B,14-Tetrahydroindolo[2',3':3,4]Pyrido[2,1-B]Quinazolin-5(7H)-One

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Formula C19H17N3O
IUPAC Name (13bs)-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one
Molecular Mass 303.358 g·mol−1
Heat of Formation 164.1 ± 16.7 kJ·mol−1
Dipole Moment 5.48 ± 1.08 D
Volume 352.83 Å 3
Surface Area 304.94 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • bb_nc-1930
  • evodiamine
  • evodiamine, <i>evodia rutaecarpa
CAS Number(s)
  • 518-17-2
InChIKey TXDUTHBFYKGSAH-SFHVURJKSA-N
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