6-Iso-Spectaline

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Properties Simple | Detailed

Formula C20H39NO2
IUPAC Name 14-[(2r,5r,6r)-5-hydroxy-6-methyl-2-piperidyl]tetradecan-2-one
Molecular Mass 325.529 g·mol−1
Heat of Formation -683.5 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 470.4 Å 3
Surface Area 433.85 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 14-[(2r,5r,6r)-5-hydroxy-6-methyl-2-piperidinyl]tetradecan-2-one
  • 14-[(2r,5r,6r)-5-hydroxy-6-methyl-2-piperidyl]tetradecan-2-one
  • 14-[(2r,5r,6r)-5-hydroxy-6-methyl-piperidin-2-yl]tetradecan-2-one
  • 14-[(2r,5r,6r)-5-hydroxy-6-methylpiperidin-2-yl]tetradecan-2-one
InChIKey SMOKZFNZPZHGMX-VAMGGRTRSA-N
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