5-Methoxy-3-(2-Phenylpyrazol-2-Ium-3-Ylium-3-Yl)-1-[3-(Trifluoromethyl)Phenyl]Hexahydropyridazine-2,3,5,6-Tetraid-4-One

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Properties Simple | Detailed

Formula C21H19F3N4O2
IUPAC Name 5-methoxy-3-(2-phenylpyrazol-2-ium-3-ylium-3-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 448.2 Å 3
Surface Area 375.77 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
InChIKey UBPFOEZSKUJBDJ-UHFFFAOYSA-O
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