1-[2-Fluoro-4-(1H-Pyrazol-1-Yl)Phenyl]-5-Methoxy-3-(1-Phenyl-1H-Pyrazol-5-Yl)-4(1H)-Pyridazinone

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Properties Simple | Detailed

Formula C23H21FN6O2
IUPAC Name 1-[2-fluoro-4-(4h-pyrazol-1-ium-4-id-1-yl)phenyl]-5-methoxy-3-(1-phenyl-3h-pyrazol-1-ium-3-ylium-5-yl)hexahydropyridazine-2,3,5,6-tetraid-4-one
Molecular Mass 432.450 g·mol−1
Heat of Formation 426.6 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 479.91 Å 3
Surface Area 414.9 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
InChIKey KVHRYLNQDWXAGI-UHFFFAOYSA-N
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