4-[4-(1H-Indol-3-Yl)-3,6-Dihydro-1(2H)-Pyridinyl]-1H-Pyrazolo[3,4-D]Pyrimidine

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Properties Simple | Detailed

Formula C18H17N6
IUPAC Name 4-[4-(4h-indol-1-ium-4-id-3-yl)-3,6-dihydro-2h-pyridin-1-yl]-1h-pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-ide
Molecular Mass 317.368 g·mol−1
Heat of Formation 620.1 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 368.9 Å 3
Surface Area 326.66 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
InChIKey QOXYIHCPHZOWJH-UHFFFAOYSA-O
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Elements H C N