N-[4-[1-[4-(4-Acetylpiperazin-1-Yl)Cyclohexyl]-4-Amino-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 C34H40N9O3
IUPAC Name n-[4-[1-[4-(4-acetylpiperazin-1-yl)cyclohexyl]-4-amino-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 622.740 g·mol−1
Heat of Formation 45.1 ± 16.7 kJ·mol−1
Dipole Moment 7.99 ± 1.08 D
Volume 734.0 Å 3
Surface Area 620.94 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
InChIKey VCUKZAVOTNSPPR-SOAUALDESA-O
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