3-[2-(4-Amino-1-Isopropyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-3-Yl)Ethynyl]Phenol

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Formula C16H16N5O
IUPAC Name 3-[2-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl)ethynyl]phenol
Molecular Mass 294.331 g·mol−1
Heat of Formation 404.1 ± 16.7 kJ·mol−1
Dipole Moment 3.65 ± 1.08 D
Volume 348.75 Å 3
Surface Area 324.96 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey HDCHRQYEZXTWJO-UHFFFAOYSA-O
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