| Formula |
C21H18F3N3O3 |
| IUPAC Name |
6-[1-(2,2-difluoro-3-hydroxy-propyl)-5-(4-fluorophenyl)-3-methyl-pyrazol-1-ium-2-id-4-yl]-4h-1,4-benzoxazin-3-one |
| Molecular Mass |
417.381 g·mol−1 |
| Heat of Formation |
-795.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.23 ± 1.08 D |
| Volume |
458.35 Å 3 |
| Surface Area |
385.87 Å 2 |
| HOMO Energy |
-8.69 ± 0.55 eV |
| LUMO Energy |
2.44 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
YPCPZZOTKIPGMW-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
F
O
N
|
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