2-(4-Amino-1-Isopropyl-Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-3-Yl)-6H-Indol-1-Ium-6-Id-5-Ol

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Properties Simple | Detailed

Formula C16H16N6O
IUPAC Name 2-(4-amino-1-isopropyl-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl)-6h-indol-1-ium-6-id-5-ol
Molecular Mass 308.338 g·mol−1
Heat of Formation 250.1 ± 16.7 kJ·mol−1
Dipole Moment 0.85 ± 1.08 D
Volume 359.37 Å 3
Surface Area 325.11 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
InChIKey MFXNRBYOLFBNBS-UHFFFAOYSA-O
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