Formula |
C18H14BrCl2N5O2 |
IUPAC Name |
5-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridyl)pyrazol-2-ium-1-ide-3-carboxamide |
Molecular Mass |
483.146 g·mol−1 |
Heat of Formation |
51.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.49 ± 1.08 D |
Volume |
472.75 Å 3 |
Surface Area |
390.16 Å 2 |
HOMO Energy |
-9.61 ± 0.55 eV |
LUMO Energy |
-1.52 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridyl)-3-pyrazolecarboxamide
- 5-bromo-n-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-2-(3-chloro-2-pyridyl)pyrazole-3-carboxamide
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InChIKey |
PSOVNZZNOMJUBI-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
Cl
H
O
N
Br
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