Quinpirole

Molecule SVG Image

Properties Simple | Detailed

Formula C13H21N3
IUPAC Name (4ar,5r,8ar)-5-propyl-4a,6,7,8,8a,9-hexahydro-4h-pyrazolo[3,4-g]quinolin-1-ium-2-ide
Molecular Mass 219.326 g·mol−1
Heat of Formation 97.6 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 289.89 Å 3
Surface Area 259.36 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,8ar)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrido[2,3-f]indazole
  • (4ar-trans)-4,4a,5,6,7,8,8a,9-octahydro-5-propyl-1h-pyrazolo(3,4-g)quinoline
  • 1h-pyrazolo(3,4-g)quinoline, 4,4a,5,6,7,8,8a,9-octahydro-5-propyl-, (4ar-trans)-
  • biomol-nt_000014
  • bpbio1_001169
  • bpbio1_001284
  • ly 156258
  • quinpirol [spanish]
  • quinpirolum [latin]
  • tocris-1061
CAS Number(s)
  • 74196-92-2
  • 80373-22-4
  • 85760-74-3
  • 99745-17-2
InChIKey FTSUPYGMFAPCFZ-ZWNOBZJWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N