(4E)-4-[3-(2,5-Dichloro-4,6-Dimethyl-1-Oxido-3-Pyridinyl)-1,2,4-Oxadiazol-5(2H)-Ylidene]-2-Hydroxy-6-Nitro-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C15H16Cl2N4O6+
IUPAC Name (4z)-4-[3-(2,5-dichloro-4,6-dimethyl-1-oxidopyridin-1-ium-3-yl)-2h-1,2,4-oxadiazol-5-ylidene]-2-hydroxy-6-nitrocyclohexa-2,5-dien-1-one
Molecular Mass 419.217 g·mol−1
Heat of Formation -74.1 ± 16.7 kJ·mol−1
Dipole Moment 10.97 ± 1.08 D
Volume 404.62 Å 3
Surface Area 359.17 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 0.41 ± eV
Point Group Symmetry C1
InChIKey HVGGGVAREUUJQV-CHHVJCJISA-N
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Elements H C N O Cl