()-Vincadifformine

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Properties Simple | Detailed

Formula C21H26N2O2
IUPAC Name methyl (1r,12s,16s,19s)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
Molecular Mass 338.443 g·mol−1
Heat of Formation -221.7 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 411.44 Å 3
Surface Area 331.92 Å 2
HOMO Energy -8.26 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 6,7-dihydrotabersonine
  • aspidospermidine-3-carboxylic acid, 2,3-didehydro-, methyl ester, (5alpha,12beta,19alpha)-
CAS Number(s)
  • 3247-10-7
InChIKey GIGFIWJRTMBSRP-ACRUOGEOSA-N
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