(2S)-1-(3-Chlorophenyl)-2-[(2-Methyl-2-Propanyl)Amino]-1-Propanone

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Properties Simple | Detailed

Formula C13H18ClNO
IUPAC Name (2s)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one
Molecular Mass 239.741 g·mol−1
Heat of Formation -196.3 ± 16.7 kJ·mol−1
Dipole Moment 1.15 ± 1.08 D
Volume 303.28 Å 3
Surface Area 269.19 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one
  • (s)-bupropion
InChIKey SNPPWIUOZRMYNY-VIFPVBQESA-N
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Elements H C N O Cl