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

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Properties Simple | Detailed

Formula C21H19F3N4O2
IUPAC Name 5-methoxy-3-(1-phenyl-3h-pyrazol-1-ium-3-ylium-5-yl)-1-[3-(trifluoromethyl)phenyl]hexahydropyridazine-2,3,5,6-tetraid-4-one
Molecular Mass 416.396 g·mol−1
Heat of Formation -291.6 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 448.21 Å 3
Surface Area 375.84 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 1.65 ± eV
Point Group Symmetry C1
InChIKey GZYJHHIEGNWBCR-UHFFFAOYSA-N
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