Formula |
C22H22N4O7 |
IUPAC Name |
(5e)-5-[2-hydroxy-6-(4-nitrophenoxy)-4-oxo-cyclohexa-2,5-dien-1-ylidene]-n-(1-methyl-4-piperidyl)-2h-isoxazole-3-carboxamide |
Molecular Mass |
454.433 g·mol−1 |
Heat of Formation |
-352.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.32 ± 1.08 D |
Volume |
508.58 Å 3 |
Surface Area |
435.47 Å 2 |
HOMO Energy |
-9.15 ± 0.55 eV |
LUMO Energy |
1.00 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
LNOSECQICJNHTG-QZQOTICOSA-N |
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Elements |
H
C
O
N
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