2-(4-Chlorophenyl)-5-{[4-(4-Methyl-1-Piperazinyl)Phenyl]Amino}-6-(1H-1,2,4-Triazol-3-Yl)-3(2H)-Pyridazinone

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Properties Simple | Detailed

Formula C23H23ClN8O
IUPAC Name 6-(1-aza-2-azonia-4-azanidacyclopenta-2,5-dien-3-yl)-2-(4-chlorophenyl)-5-[4-(4-methylpiperazin-1-yl)anilino]-4h-pyridazin-2-ium-4-id-3-one
Molecular Mass 462.935 g·mol−1
Heat of Formation 468.1 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 523.83 Å 3
Surface Area 462.08 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey QFOJWYRWOUEPJP-UHFFFAOYSA-N
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Elements H C N O Cl