Paliclavine

Molecule SVG Image

Properties Simple | Detailed

Formula C16H20N2O
IUPAC Name (1r)-2-methyl-1-[(4r,5r)-4-(methylamino)-4,5-dihydro-3h-benzo[cd]indol-1-ium-5-yl]prop-2-en-1-ol
Molecular Mass 256.343 g·mol−1
Heat of Formation 33.5 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 325.44 Å 3
Surface Area 278.13 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-(4alpha,5beta(r*))-1,3,4,5-tetrahydro-4-(methylamino)-alpha-(1-methylethenyl)benz(cd)indole-5-methanol
CAS Number(s)
  • 52052-66-1
InChIKey RYJKMWDFKMAASW-BMFZPTHFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N