| Formula |
C21H20BrClN4O2 |
| IUPAC Name |
[4-(5-bromo-3-methyl-2-pyridyl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]methanone |
| Molecular Mass |
475.766 g·mol−1 |
| Heat of Formation |
68.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.27 ± 1.08 D |
| Volume |
492.62 Å 3 |
| Surface Area |
380.85 Å 2 |
| HOMO Energy |
-8.98 ± 0.55 eV |
| LUMO Energy |
2.48 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
FJRSKYVUWHZUJT-UHFFFAOYSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
Br
|
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