Pyrazolo[3,4-D]Pyrimidine-1,2,5,7-Tetraium-4-One

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Formula C5H4N4O
IUPAC Name pyrazolo[3,4-d]pyrimidine-1,2,5,7-tetraium-4-one
Molecular Mass 136.111 g·mol−1
Heat of Formation 231.2 ± 16.7 kJ·mol−1
Dipole Moment 7.70 ± 1.08 D
Volume 143.88 Å 3
Surface Area 149.95 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
InChIKey DNDYIJVMVSKVGI-UHFFFAOYSA-O
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