Pf-184563

Molecule SVG Image

Properties Simple | Detailed

Formula C21H23ClN6
IUPAC Name 8-chloro-5-methyl-1-[1-(2-pyridyl)-4-piperidyl]-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
Molecular Mass 394.901 g·mol−1
Heat of Formation 425.5 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 459.08 Å 3
Surface Area 389.02 Å 2
HOMO Energy -8.52 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 8-chloro-5-methyl-1-[1-(2-pyridyl)-4-piperidinyl]-4,6-dihydro-[1,2,4]triazolo[4,5-a][1,4]benzodiazepine
  • 8-chloro-5-methyl-1-[1-(2-pyridyl)-4-piperidyl]-4,6-dihydro-[1,2,4]triazolo[4,5-a][1,4]benzodiazepine
InChIKey LXHAZNJVVVBJIF-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N Cl