Formula |
C24H22N4O5 |
IUPAC Name |
2-[6-(3,5-diaminophenyl)-1-[(2-methoxy-5-nitro-phenyl)methyl]-2h-indol-1-ium-2-ylium-3-yl]acetic acid |
Molecular Mass |
446.455 g·mol−1 |
Heat of Formation |
-280.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.44 ± 1.08 D |
Volume |
510.57 Å 3 |
Surface Area |
403.38 Å 2 |
HOMO Energy |
-7.94 ± 0.55 eV |
LUMO Energy |
1.81 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
TWAXPCWGTXLAOX-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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