Formula |
C28H22FN7O2+ |
IUPAC Name |
2-[[4-amino-3-(3-fluoro-5-hydroxy-phenyl)pyrazolo[3,4-d]pyrimidine-5,7-diium-3a-id-1-yl]methyl]-5-methyl-3-(o-tolyl)quinazolin-1-ium-4a-id-4-one |
Molecular Mass |
507.518 g·mol−1 |
Heat of Formation |
96.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.84 ± 1.08 D |
Volume |
579.44 Å 3 |
Surface Area |
467.43 Å 2 |
HOMO Energy |
-8.99 ± 0.55 eV |
LUMO Energy |
-1.05 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KKBUFDFHEANCBL-UHFFFAOYSA-P |
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Elements |
H
C
F
O
N
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