(2-Chlorophenyl)-[2-[2-(Diethylaminomethyl)-4H-Imidazol-1-Ium-4-Id-3-Yl]-5-Nitro-Phenyl]Methanone

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Properties Simple | Detailed

Formula C21H21ClN4O3
IUPAC Name (2-chlorophenyl)-[2-[2-(diethylaminomethyl)-4h-imidazol-1-ium-4-id-3-yl]-5-nitro-phenyl]methanone
Molecular Mass 412.869 g·mol−1
Heat of Formation 79.5 ± 16.7 kJ·mol−1
Dipole Moment 5.66 ± 1.08 D
Volume 472.27 Å 3
Surface Area 354.15 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 1.38 ± eV
Point Group Symmetry C1
InChIKey GSYUGVLLMALTBW-UHFFFAOYSA-N
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Elements H C N O Cl