(16α,17α)-17-Hydroxy-N'-Methylyohimban-16-Carbohydrazide

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Properties Simple | Detailed

Formula C21H28N4O2
IUPAC Name (1s,13r,15r,18s,19r,20s)-18-hydroxy-n'-methyl-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-2-ylium-19-carbohydrazide
Molecular Mass 368.473 g·mol−1
Heat of Formation -175.4 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 446.19 Å 3
Surface Area 375.06 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy 0.17 ± eV
Point Group Symmetry C1
Synonyms
  • n-methyl-n'-yohimbohydrazide
  • yohimban-16-carboxylic acid, 17-hydroxy-, 2-methylhydrazide, (16alpha,17alpha)-
CAS Number(s)
  • 49707-02-0
InChIKey WFRIHNXQTMQQNN-SCYLSFHTSA-N
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