3-Ethyl-1-Propyl-8-[1-[[3-(Trifluoromethyl)Phenyl]Methyl]Pyrazol-4-Yl]-7H-Purin-9-Ium-5-Ide-2,6-Dione

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Formula C21H21F3N6O2
IUPAC Name 3-ethyl-1-propyl-8-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 446.426 g·mol−1
Heat of Formation -636.3 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 500.63 Å 3
Surface Area 441.27 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry C1
InChIKey DGJHDVHDAJQFOW-UHFFFAOYSA-P
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