(19α,20α)-16-(Methoxycarbonyl)-19-Methyl-3,4,5,6,16,17-Hexadehydro-18-Oxayohimban-4-Ium-1-Ide

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Properties Simple | Detailed

Formula C21H21N2O3+
IUPAC Name (19alpha,20alpha)-16-(methoxycarbonyl)-19-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium-1-ide
Molecular Mass 349.403 g·mol−1
Heat of Formation -155.7 ± 16.7 kJ·mol−1
Dipole Moment 8.38 ± 1.08 D
Volume 404.25 Å 3
Surface Area 350.27 Å 2
HOMO Energy -7.76 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
CAS Number(s)
  • 47485-83-6
InChIKey WYTGDNHDOZPMIW-RCBQFDQVSA-N
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