N-{4-[(1E)-N-(1,3-Dihydro-2H-Imidazol-2-Ylidene)Ethanehydrazonoyl]Phenyl}-7-Nitro-1H-Indole-2-Carboxamide

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Properties Simple | Detailed

Formula C20H17N7O3
IUPAC Name n-[4-[(e)-n-(1,5-dihydroimidazol-3-ium-5-id-2-ylamino)-c-methyl-carbonimidoyl]phenyl]-7-nitro-5h-indol-1-ium-5-ide-2-carboxamide
Molecular Mass 403.394 g·mol−1
Heat of Formation 400.7 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 448.18 Å 3
Surface Area 414.84 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
InChIKey ZRMHKCSZOJQCBI-BRJLIKDPSA-N
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