3-[(4-Amino-1-Tert-Butyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-3-Yl)Methyl]Phenol

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Formula C16H20N5O
IUPAC Name 3-[(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl)methyl]phenol
Molecular Mass 298.363 g·mol−1
Heat of Formation 109.5 ± 16.7 kJ·mol−1
Dipole Moment 3.14 ± 1.08 D
Volume 362.61 Å 3
Surface Area 315.73 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey BNOGPQGFDYSQGO-UHFFFAOYSA-O
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