1-Methyl-5-(1-Methyl-3-{[4-(2-Quinolinyl)Phenoxy]Methyl}-1H-Pyrazol-4-Yl)-2(1H)-Pyridinone

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Formula C26H22N4O2+
IUPAC Name 1-methyl-5-[1-methyl-3-[[4-(2-quinolyl)phenoxy]methyl]pyrazol-4-yl]-3h-pyridin-1-ium-3-id-2-one
Molecular Mass 422.478 g·mol−1
Heat of Formation 239.5 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 503.2 Å 3
Surface Area 426.41 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
InChIKey IQTLAXYGYBJURZ-UHFFFAOYSA-N
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