N-[4-[(E)-N-Guanidino-C-Methyl-Carbonimidoyl]Phenyl]-7-Nitro-6H-Indol-1-Ium-6-Ide-2-Carboxamide

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Formula C18H17N7O3
IUPAC Name n-[4-[(e)-n-guanidino-c-methyl-carbonimidoyl]phenyl]-7-nitro-indol-1-ium-3a-ide-2-carboxamide
Molecular Mass 379.373 g·mol−1
Heat of Formation 235.9 ± 16.7 kJ·mol−1
Dipole Moment 7.26 ± 1.08 D
Volume 422.73 Å 3
Surface Area 395.32 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy 1.30 ± eV
Point Group Symmetry C1
InChIKey ZKHRFTLMLVMQMS-AUEPDCJTSA-N
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