Formula |
C35H32ClF3N2O3 |
IUPAC Name |
2-[4-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]indol-1-ium-7a-ylium-1-yl]acetic acid |
Molecular Mass |
621.088 g·mol−1 |
Heat of Formation |
-799.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.00 ± 1.08 D |
Volume |
707.79 Å 3 |
Surface Area |
569.85 Å 2 |
HOMO Energy |
-8.17 ± 0.55 eV |
LUMO Energy |
2.01 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
RHWNXOWPCIQOAH-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
F
O
N
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