(4S)-N-(4-Amino-5-Chloro-2-Methoxy-Benzoyl)-2,3,4,5-Tetrahydropyridin-4-Amine Oxide

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Properties Simple | Detailed

Formula C13H17ClN3O3
IUPAC Name (4s)-n-(4-amino-5-chloro-2-methoxy-benzoyl)-2,3,4,5-tetrahydropyridin-4-amine oxide
Molecular Mass 298.745 g·mol−1
Heat of Formation -179.5 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 333.75 Å 3
Surface Area 282.71 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 1.95 ± eV
Point Group Symmetry C1
InChIKey DLWDUSJZENPMKA-MRVPVSSYSA-N
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Elements H C N O Cl