Formula |
C12H9N3O |
IUPAC Name |
3-phenyl-5-pyrazol-1-ium-3-ylium-3-yl-isoxazole |
Molecular Mass |
211.219 g·mol−1 |
Heat of Formation |
396.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.97 ± 1.08 D |
Volume |
246.99 Å 3 |
Surface Area |
238.01 Å 2 |
HOMO Energy |
-9.42 ± 0.55 eV |
LUMO Energy |
2.40 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 3-phenyl-5-(2h-pyrazol-3-yl)-1,2-oxazole
- 3-phenyl-5-(2h-pyrazol-3-yl)isoxazole
|
InChIKey |
SRSSTOPJERVMRZ-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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