Formula |
C23H24ClN3O3 |
IUPAC Name |
n-[2-(2-chlorophenyl)-5-isopropyl-4-methyl-imidazol-1-ium-2-ylium-1-yl]-5-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
Molecular Mass |
425.908 g·mol−1 |
Heat of Formation |
-203.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.71 ± 1.08 D |
Volume |
496.69 Å 3 |
Surface Area |
400.21 Å 2 |
HOMO Energy |
-8.61 ± 0.55 eV |
LUMO Energy |
2.58 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XLNQTHXOKGRTAL-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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