7-Isobutyl-5-Methyl-3-(3-Methylimidazol-1-Ium-4-Id-4-Yl)-2-(1-Naphthylmethyl)Pyrazolo[3,4-D]Pyrimidine-1,3,3A,7A-Tetraide-4,6-Dione

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Properties Simple | Detailed

Formula C25H31N6O2
IUPAC Name 7-isobutyl-5-methyl-3-(3-methylimidazol-1-ium-4-id-4-yl)-2-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidine-1,3,3a,7a-tetraide-4,6-dione
Molecular Mass 447.553 g·mol−1
Heat of Formation 73.0 ± 16.7 kJ·mol−1
Dipole Moment 4.78 ± 1.08 D
Volume 529.82 Å 3
Surface Area 405.3 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.95 ± eV
Point Group Symmetry C1
InChIKey HLCVYPIEJRFZTB-UHFFFAOYSA-P
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