Formula |
C19H14BrClN6O2 |
IUPAC Name |
5-bromo-2-(3-chloro-2-pyridyl)-n-[4-cyano-2-methyl-6-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide |
Molecular Mass |
473.710 g·mol−1 |
Heat of Formation |
225.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.13 ± 1.08 D |
Volume |
471.93 Å 3 |
Surface Area |
395.42 Å 2 |
HOMO Energy |
-9.77 ± 0.55 eV |
LUMO Energy |
-1.60 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DVBUIBGJRQBEDP-UHFFFAOYSA-N |
QR Code |
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Elements |
C
Cl
H
O
N
Br
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