Hydroxy[4-Iodo-3-({1-[(1-Methyl-2-Piperidinyl)Methyl]-1H-Indol-3-Yl}Carbonyl)Phenyl]Oxido-Lambda~5~-Azanyl

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Properties Simple | Detailed

Formula C22H23IN3O3
IUPAC Name [[[3-[1-[2-[ethyl(methyl)amino]butyl]-2h-indol-1-ium-2-ylium-3-carbonyl]-4-iodo-phenyl]-oxo-λ5-azanylidene]-λ4-oxidanylidene]hydrogen(1+)
Molecular Mass 504.341 g·mol−1
Heat of Formation 3092.1 ± 16.7 kJ·mol−1
Dipole Moment 5.43 ± 1.08 D
Volume 420.9 Å 3
Surface Area 366.07 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -2.55 ± eV
Point Group Symmetry C1
InChIKey XOBKWNBWRBXGBJ-INIZCTEOSA-N
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