7-Isobutyl-5-Methyl-3-(1-Methyl-1H-Imidazol-5-Yl)-2-(1-Naphthylmethyl)-2H-Pyrazolo[3,4-D]Pyrimidine-4,6(5H,7H)-Dione

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Properties Simple | Detailed

Formula C25H30N6O2
IUPAC Name 7-isobutyl-5-methyl-3-(1-methyl-4h-imidazol-1-ium-4-ylium-5-yl)-2-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidine-1,3,3a,7a-tetraide-4,6-dione
Molecular Mass 446.545 g·mol−1
Heat of Formation 72.8 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 529.49 Å 3
Surface Area 404.62 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey QJBUEINIMXZUED-UHFFFAOYSA-N
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