| Formula |
C22H21ClN4O5 |
| IUPAC Name |
[4-(2-chloro-4-nitro-phenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-5-methyl-isoxazol-4-yl]methanone |
| Molecular Mass |
456.879 g·mol−1 |
| Heat of Formation |
-125.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.56 ± 1.08 D |
| Volume |
504.66 Å 3 |
| Surface Area |
389.63 Å 2 |
| HOMO Energy |
-9.24 ± 0.55 eV |
| LUMO Energy |
1.59 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
OQYUKAFYGKRXTK-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
Cl
O
N
|
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