| Formula |
C22H19FN4O3 |
| IUPAC Name |
2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)imidazol-1-ium-5-ylium-1-yl]propane-1,3-diol |
| Molecular Mass |
406.410 g·mol−1 |
| Heat of Formation |
-224.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.16 ± 1.08 D |
| Volume |
462.93 Å 3 |
| Surface Area |
376.58 Å 2 |
| HOMO Energy |
-9.23 ± 0.55 eV |
| LUMO Energy |
-1.44 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[4-(4-fluorophenyl)-5-[2-(phenoxy)-4-pyrimidinyl]-1-imidazolyl]propane-1,3-diol
- 2-[4-(4-fluorophenyl)-5-[2-(phenoxy)pyrimidin-4-yl]imidazol-1-yl]propane-1,3-diol
|
| InChIKey |
ZDKIAVFEUPUCMR-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
N
O
F
|
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