1-[(7-Carbamimidoyl-2-Naphthyl)Methyl]-6-[(1-Ethanimidoyl-4-Piperidinyl)Oxy]-2-Isopropyl-1H-Indole-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C31H35N5O3
IUPAC Name 1-[(7-carbamimidoyl-2-naphthyl)methyl]-6-[(1-ethanimidoyl-4-piperidyl)oxy]-2-isopropyl-5h-indol-1-ium-5-ide-4-carboxylic acid
Molecular Mass 525.641 g·mol−1
Heat of Formation -179.3 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 641.33 Å 3
Surface Area 530.19 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C1
InChIKey WBDOXNXLJBVELO-BIZUNTBRSA-N
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