(5E)-5-[2-Hydroxy-6-(4-Nitrophenoxy)-4-Oxo-Cyclohexa-2,5-Dien-1-Ylidene]-N-(1-Methyl-4-Piperidyl)-4H-Isoxazol-2-Ium-4-Ide-3-Carboxamide

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Properties Simple | Detailed

Formula C22H22N4O7
IUPAC Name (5e)-5-[2-hydroxy-6-(4-nitrophenoxy)-4-oxo-cyclohexa-2,5-dien-1-ylidene]-n-(1-methyl-4-piperidyl)-4h-isoxazol-2-ium-4-ide-3-carboxamide
Molecular Mass 454.433 g·mol−1
Heat of Formation -352.8 ± 16.7 kJ·mol−1
Dipole Moment 10.22 ± 1.08 D
Volume 508.53 Å 3
Surface Area 435.63 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -2.00 ± eV
Point Group Symmetry C1
InChIKey BVZDELRWDVNDBU-QZQOTICOSA-N
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