3-Chloro-5-Fluoro-2,6-Dimethyl-Piperidine-2,3,5,6-Tetraid-4-One

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Properties Simple | Detailed

Formula C7H12ClFNO+
IUPAC Name (2s,3r,5r,6r)-3-chloro-5-fluoro-2,6-dimethyl-piperidin-1-ium-4-one
Molecular Mass 180.628 g·mol−1
Heat of Formation -332.5 ± 16.7 kJ·mol−1
Dipole Moment 8.97 ± 1.08 D
Volume 185.92 Å 3
Surface Area 183.92 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.60 ± eV
Point Group Symmetry Cs
InChIKey BMWZBBWQAWAAMQ-UHFFFAOYSA-O
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Elements C F H Cl O N