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

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Properties Simple | Detailed

Formula C20H18N7O3
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 404.402 g·mol−1
Heat of Formation 379.7 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 452.17 Å 3
Surface Area 410.29 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
InChIKey VTQUXECKPXVAOL-BRJLIKDPSA-N
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