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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