Formula |
C27H32N8O2 |
IUPAC Name |
2-allyl-1-[2-(1-hydroxy-1-methyl-ethyl)-3h-pyridin-1-ium-3-id-6-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-3-one |
Molecular Mass |
500.595 g·mol−1 |
Heat of Formation |
264.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.05 ± 1.08 D |
Volume |
610.57 Å 3 |
Surface Area |
501.62 Å 2 |
HOMO Energy |
-8.35 ± 0.55 eV |
LUMO Energy |
-1.12 ± eV |
Point Group Symmetry |
C1
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InChIKey |
DSHXOXJOZKOMKK-UHFFFAOYSA-O |
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Elements |
H
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