Imagabalin

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Properties Simple | Detailed

Formula C9H19NO2
IUPAC Name (3s,5r)-3-amino-5-methyl-octanoic acid
Molecular Mass 173.253 g·mol−1
Heat of Formation -545.5 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 244.71 Å 3
Surface Area 229.67 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r)-3-amino-5-methyl-caprylic acid
  • (3s,5r)-3-amino-5-methyl-octanoic acid
  • (3s,5r)-3-amino-5-methyloctanoic acid
InChIKey JXEHXYFSIOYTAH-SFYZADRCSA-N
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