| Formula |
C18H15FN4O |
| IUPAC Name |
4-[(1r,2s)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-3-(4-fluorophenyl)-2-hydroxy-propyl]benzonitrile |
| Molecular Mass |
322.336 g·mol−1 |
| Heat of Formation |
147.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.33 ± 1.08 D |
| Volume |
385.32 Å 3 |
| Surface Area |
336.87 Å 2 |
| HOMO Energy |
-9.83 ± 0.55 eV |
| LUMO Energy |
-1.09 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[(1r,2s)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
- mpv-2213ad
|
| InChIKey |
SLJZVZKQYSKYNV-ZWKOTPCHSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
F
|
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