1-[4-[4-Morpholino-1-[1-(Pyridin-1-Ium-3-Ide-3-Carbonyl)-4-Piperidyl]Pyrazolo[3,4-D]Pyrimidine-5,7-Diium-3A-Id-6-Yl]Phenyl]-3-(3H-Pyridin-1-Ium-3-Id-4-Yl)Urea

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Properties Simple | Detailed

Formula C32H34N10O3
IUPAC Name 1-[4-[4-morpholino-1-[1-(pyridin-1-ium-3-ide-3-carbonyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-6-yl]phenyl]-3-(3h-pyridin-1-ium-3-id-4-yl)urea
Molecular Mass 606.678 g·mol−1
Heat of Formation 208.6 ± 16.7 kJ·mol−1
Dipole Moment 4.98 ± 1.08 D
Volume 692.62 Å 3
Surface Area 592.3 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey KGCRZGIEAOJDKF-UHFFFAOYSA-O
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