| Formula |
C20H15F3N6O3 |
| IUPAC Name |
5-[2-(ethylcarbamoyl)-4-[3-(trifluoromethyl)pyrazol-1-ium-2-id-1-yl]pyrrolo[2,3-b]pyridin-1-ium-5-yl]pyridine-3-carboxylic acid |
| Molecular Mass |
444.367 g·mol−1 |
| Heat of Formation |
-636.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
6.37 ± 1.08 D |
| Volume |
474.57 Å 3 |
| Surface Area |
405.48 Å 2 |
| HOMO Energy |
-9.73 ± 0.55 eV |
| LUMO Energy |
1.40 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
QEODWPGJXCSBCR-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
F
O
N
|
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