N-[4-[4-Amino-1-[4-(4-Methylpiperazin-1-Yl)Cyclohexyl]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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Formula C33H39N9O2
IUPAC Name n-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]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 593.722 g·mol−1
Heat of Formation 260.1 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 710.55 Å 3
Surface Area 602.71 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey FOLHLLWETFCPFJ-RQNOJGIXSA-O
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