2-(4-Nitrophenyl)-6H-1,3-Benzoxazol-3-Ium-6-Ide

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Formula C13H9N2O3
IUPAC Name 2-(4-nitrophenyl)-6h-1,3-benzoxazol-3-ium-6-ide
Molecular Mass 241.222 g·mol−1
Heat of Formation 159.1 ± 16.7 kJ·mol−1
Dipole Moment 5.38 ± 1.08 D
Volume 261.54 Å 3
Surface Area 251.16 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry Cs
InChIKey WGVQXPLDVXEOTM-UHFFFAOYSA-N
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