| Formula |
C21H15ClF2N6O |
| IUPAC Name |
4-chloro-n-cyclopropyl-3-[[1-(2,6-difluorophenyl)pyrazolo[3,4-d]pyridazin-1-ium-7a-ylium-4-yl]amino]benzamide |
| Molecular Mass |
440.833 g·mol−1 |
| Heat of Formation |
150.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.46 ± 1.08 D |
| Volume |
472.4 Å 3 |
| Surface Area |
419.46 Å 2 |
| HOMO Energy |
-8.90 ± 0.55 eV |
| LUMO Energy |
-1.32 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
ZWVCUFJZBBAOFI-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
F
O
N
|
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