(8α,9Beta)-6,8-Dimethyl-2-(2-Methyl-3-Buten-2-Yl)Ergolin-9-Yl Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C23H30N2O2
IUPAC Name [(6ar,7r,9r,10s,10ar)-5-(1,1-dimethylallyl)-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4-ium-5-ylium-10-yl] acetate
Molecular Mass 366.497 g·mol−1
Heat of Formation -247.5 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 469.71 Å 3
Surface Area 372.49 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • -
  • .
  • 0
  • 2
  • 3
  • 7
  • b
  • c
  • e
  • h
  • i
  • m
  • n
  • o
  • p
InChIKey OSICWVVWEXKSBD-NDKINLCJSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N