3-[3-(2-Chloro-6-Fluoro-Phenyl)-5-Ethyl-6-Oxo-[1,2,4]Triazolo[4,3-B]Pyridazine-4,5-Diium-7-Yl]-N-Cyclopropyl-4-Methyl-Benzamide

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Properties Simple | Detailed

Formula C24H27ClFN5O2
IUPAC Name 3-[3-(2-chloro-6-fluoro-phenyl)-5-ethyl-6-oxo-[1,2,4]triazolo[4,3-b]pyridazine-4,5-diium-7-yl]-n-cyclopropyl-4-methyl-benzamide
Molecular Mass 471.955 g·mol−1
Heat of Formation 53.5 ± 16.7 kJ·mol−1
Dipole Moment 8.42 ± 1.08 D
Volume 525.64 Å 3
Surface Area 437.74 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 1.63 ± eV
Point Group Symmetry C1
InChIKey JLYWMDOMRLSIFD-UHFFFAOYSA-O
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Elements C Cl H F O N