Nefazodone

Molecule SVG Image

Properties Simple | Detailed

Formula C24H22ClN5O2++
IUPAC Name [3-[4-(3-chlorophenyl)pyrazine-1,4-diium-1-yl]prop-2-ynyl-(prop-1-ynylamino)carbamoyl]-methylidyne-ammonium; formaldehyde; penta-1,3-diyne
Molecular Mass 447.917 g·mol−1
Heat of Formation 4270.0 ± 16.7 kJ·mol−1
Dipole Moment 9.83 ± 1.08 D
Volume 498.59 Å 3
Surface Area 390.78 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -3.15 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3-(4-(3-chlorpheyl-1-piperazinylpropyl)-3-ethyl-4,5-dihydro-4-(2-phenoxyethyl)-1,2,4-triazol-5-on
  • 1-(3-(4-(m-chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta2-1,2,4-triazolin-5-one
  • 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-3h-1,2,4-triazol-3-one
  • 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one
  • 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-[2-(phenyloxy)ethyl]-2,4-dihydro-3h-1,2,4-triazol-3-one
  • 3h-1,2,4-triazol-3-one, 2,4-dihydro-2-3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-ethyl-4-(2-phenoxyethyl)-
  • 3h-1,2,4-triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)-
  • ks-1088
  • nefazodona [spanish]
  • nefazodonum [latin]
CAS Number(s)
  • 83366-66-9
InChIKey VRBKIVRKKCLPHA-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C N O Cl