Formula |
C13H13N3O |
IUPAC Name |
4-(3-imidazol-3-ium-4-ylium-4-ylpropoxy)benzonitrile |
Molecular Mass |
227.262 g·mol−1 |
Heat of Formation |
146.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.64 ± 1.08 D |
Volume |
282.65 Å 3 |
Surface Area |
256.07 Å 2 |
HOMO Energy |
-9.38 ± 0.55 eV |
LUMO Energy |
-0.83 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-[3-(1h-imidazol-4-yl)propoxy]benzonitrile
- 4-[3-(3h-imidazol-4-yl)propoxy]benzonitrile
|
InChIKey |
XQNBJFUWFIHAMW-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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