6-Chloro-3-Phenyl-Hexahydropyridazine-2,3,5,6-Tetraid-4-One
Properties
Property | Value |
---|---|
Formula | C10H12ClN2O+ |
IUPAC Name | (3r,6s)-6-chloro-3-phenyl-hexahydropyridazin-1-ium-4-one |
Molecular Mass | 211.668 g·mol−1 |
Heat of Formation | 131.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.35 ± 1.08 D |
Volume | 223.96 Å 3 |
Surface Area | 216.55 Å 2 |
HOMO Energy | -9.30 ± 0.55 eV |
LUMO Energy | 2.05 ± eV |
Point Group Symmetry | C1 |
InChIKey | AHNVWCGKEDCNBE-UHFFFAOYSA-O |
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Elements | H C N O Cl |