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

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Properties Simple | Detailed

Formula C14H16N5O
IUPAC Name 3-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl)phenol
Molecular Mass 270.310 g·mol−1
Heat of Formation 162.9 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 338.54 Å 3
Surface Area 289.03 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
InChIKey XAJJGMRCCSRHTN-UHFFFAOYSA-O
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