N-[4-[4-Amino-1-(1-Tetrahydropyran-4-Yl-4-Piperidyl)Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-3-Yl]-2-Methoxy-Phenyl]-1-Methyl-6H-Indol-1-Ium-6-Ide-2-Carboxamide

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Properties Simple | Detailed

Formula C32H36N8O3
IUPAC Name n-[4-[4-amino-1-(1-tetrahydropyran-4-yl-4-piperidyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-yl]-2-methoxy-phenyl]-1-methyl-6h-indol-1-ium-6-ide-2-carboxamide
Molecular Mass 580.680 g·mol−1
Heat of Formation 83.8 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 682.48 Å 3
Surface Area 581.15 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey DEZXUVUKBMAUPB-UHFFFAOYSA-O
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