(13S,14E)-14-Ethylidene-12-Methylene-1,8-Diazatetracyclo[11.2.2.0~3,11~.0~5,9~]Heptadeca-3(11),4,6,9-Tetraene

Molecule SVG Image

Properties Simple | Detailed

Formula C18H20N2
IUPAC Name (13s,14e)-14-ethylidene-12-methylene-1,8-diazatetracyclo[11.2.2.0 3,11 .0 5,9 ]heptadeca-3(11),4,6,9-tetraene
Molecular Mass 264.365 g·mol−1
Heat of Formation 273.1 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 332.79 Å 3
Surface Area 275.89 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-ethano-2h-azocino(4,3-b)indole, 1,3,4,5,6,7-hexahydro-4-ethylidene-6-methylene-
  • 2,5-ethano-2h-azocino(4,3-b)indole, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (r-(e))- (9ci)
  • 2,5-ethano-2h-azocino[4,3-b]indole, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-, (4e,5r)-
  • 4-ethylidene-1,3,4,5,6,7-hexahydro-6-methylene-2,5-ethano-2h-azocino(4,3-b)indole
  • apparicine (8ci)
  • apparicine, gomezine, pericalline, tabernoschizine
CAS Number(s)
  • 3463-93-2
InChIKey YBWKMVPRGFJPHD-LELDJUSMSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N