Formula |
C22H25N3O3 |
IUPAC Name |
2-[(2r)-2-hydroxy-3-[[2-(5-hydroxy-2h-indol-1-ium-2-ylium-3-yl)-1,1-dimethyl-ethyl]amino]propoxy]benzonitrile |
Molecular Mass |
379.452 g·mol−1 |
Heat of Formation |
-242.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.08 ± 1.08 D |
Volume |
473.02 Å 3 |
Surface Area |
342.93 Å 2 |
HOMO Energy |
-8.35 ± 0.55 eV |
LUMO Energy |
-0.65 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RLHZDXDBSDXXNX-GOSISDBHSA-N |
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Elements |
H
C
O
N
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