2-[2-(4-Chlorophenyl)-2-Oxo-Ethyl]-4-[4-(4-Hydroxyphenyl)Piperazin-1-Yl]-5-Methyl-1,2,4-Triazole-2,4-Diium-3-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H22ClN5O3
IUPAC Name 2-[2-(4-chlorophenyl)-2-oxo-ethyl]-4-[4-(4-hydroxyphenyl)piperazin-1-yl]-5-methyl-1,2,4-triazole-2,4-diium-3-one
Molecular Mass 427.884 g·mol−1
Heat of Formation -57.6 ± 16.7 kJ·mol−1
Dipole Moment 1.15 ± 1.08 D
Volume 483.85 Å 3
Surface Area 418.94 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.00 ± eV
Point Group Symmetry C1
InChIKey VZSLWTZQSOCFIA-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl