Formula |
C17H18N4O2 |
IUPAC Name |
5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile |
Molecular Mass |
310.350 g·mol−1 |
Heat of Formation |
113.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.33 ± 1.08 D |
Volume |
388.59 Å 3 |
Surface Area |
341.71 Å 2 |
HOMO Energy |
-9.77 ± 0.55 eV |
LUMO Energy |
-1.41 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-[3,5-diethyl-1-(2-hydroxyethyl)pyrazol-4-yl]oxyisophthalonitrile
- 5-[[3,5-diethyl-1-(2-hydroxyethyl)-4-pyrazolyl]oxy]benzene-1,3-dicarbonitrile
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InChIKey |
MCPUZZJBAHRIPO-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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