Formula |
C21H19N3O3S |
IUPAC Name |
2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[1,5-b]pyridazin-8-ium |
Molecular Mass |
393.459 g·mol−1 |
Heat of Formation |
69.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.11 ± 1.08 D |
Volume |
453.19 Å 3 |
Surface Area |
402.13 Å 2 |
HOMO Energy |
-9.07 ± 0.55 eV |
LUMO Energy |
-1.15 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-(4-ethoxyphenyl)-3-(4-mesylphenyl)pyrazolo[5,1-f]pyridazine
- 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)pyrazolo[5,1-f]pyridazine
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InChIKey |
NXMZBNYLCVTRGB-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
S
C
O
N
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