N-(2-Aminoethyl)-N-[5-[(1-Cycloheptylpyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-6-Yl)Amino]Pyridin-1-Ium-5-Id-2-Yl]Methanesulfonamide

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Properties Simple | Detailed

Formula C20H30N8O2S
IUPAC Name n-(2-aminoethyl)-n-[5-[(1-cycloheptylpyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-6-yl)amino]pyridin-1-ium-5-id-2-yl]methanesulfonamide
Molecular Mass 446.570 g·mol−1
Heat of Formation 57.4 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 515.65 Å 3
Surface Area 446.47 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
InChIKey BIZIVBBKGHYIJR-UHFFFAOYSA-O
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