2-(Nitrooxy)Ethyl (3α,16α)-Eburnamenine-14-Carboxylate

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Properties Simple | Detailed

Formula C22H25N3O5
IUPAC Name 2-(nitrooxy)ethyl (3alpha,16alpha)-eburnamenine-14-carboxylate
Molecular Mass 411.451 g·mol−1
Heat of Formation -237.5 ± 16.7 kJ·mol−1
Dipole Moment 4.02 ± 1.08 D
Volume 473.79 Å 3
Surface Area 379.88 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(nitrooxy)ethyl apovincaminate
  • eburnamenine-14 carboxylic acid (2-nitroxyethyl)ester
  • eburnamenine-14-carboxylic acid, 2-(nitrooxy)ethyl ester, (3alpha,16alpha)-
  • noetapov
  • va 045
  • va-045
CAS Number(s)
  • 128759-76-2
InChIKey VDHLDQHKSSLLJV-IRLDBZIGSA-N
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