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
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InChIKey |
KGCRZGIEAOJDKF-UHFFFAOYSA-O |
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Elements |
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