(8β)-1-Isopropyl-6-Methylergoline-8-Carboxylic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C19H24N2O2
IUPAC Name (6ar,9r,10ar)-4-isopropyl-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-carboxylic acid
Molecular Mass 312.406 g·mol−1
Heat of Formation -272.8 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 387.19 Å 3
Surface Area 333.72 Å 2
HOMO Energy -8.15 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isopropyldihydrolysergic acid
  • ergoline-8-carboxylic acid, 6-methyl-1-(1-methylethyl)-, (8beta)-
  • ipr-dhla
CAS Number(s)
  • 41710-27-4
InChIKey NAGMITMLYCSORO-FRFSOERESA-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