3-(4-Isothiocyanato-2-Nitro-Phenyl)-4H-Imidazol-1-Ium-4-Ide

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Properties Simple | Detailed

Formula C10H7N4O2S
IUPAC Name 3-(4-isothiocyanato-2-nitro-phenyl)-4h-imidazol-1-ium-4-ide
Molecular Mass 247.253 g·mol−1
Heat of Formation 444.1 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 266.25 Å 3
Surface Area 253.83 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
InChIKey IQTHBGVUCUAIOW-UHFFFAOYSA-N
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