(8α,9α,10Beta)-6,8-Dimethyl-8,9-Epoxyergoline

Molecule SVG Image

Properties Simple | Detailed

Formula C16H18N2O
IUPAC Name (8alpha,9alpha,10beta)-6,8-dimethyl-8,9-epoxyergoline
Molecular Mass 254.327 g·mol−1
Heat of Formation 124.4 ± 16.7 kJ·mol−1
Dipole Moment 1.77 ± 1.08 D
Volume 305.67 Å 3
Surface Area 267.82 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • epoxyagroclavine-1
  • ergoline, 8,9-epoxy-6,8-dimethyl-, (8beta,9beta,10beta)-
CAS Number(s)
  • 82564-34-9
InChIKey WASFVUNJIDBCHV-SYAUCNOPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N