Formula |
C35H32ClN3O4 |
IUPAC Name |
carbon dioxide; 2-[[4-[3-(4-chlorophenyl)-3ah-benzimidazol-1-ium-2-yl]phenoxy]methyl]but-3-ynyl-hydroxy-ammonium |
Molecular Mass |
594.099 g·mol−1 |
Heat of Formation |
-392.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.66 ± 1.08 D |
Volume |
695.81 Å 3 |
Surface Area |
539.48 Å 2 |
HOMO Energy |
-9.02 ± 0.55 eV |
LUMO Energy |
2.38 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SOOUSPCMYBGZNP-UHFFFAOYSA-N |
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Elements |
H
C
N
O
Cl
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