3-[(3S)-1-Propyl-3-Piperidinyl]Benzonitrile

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Properties Simple | Detailed

Formula C15H20N2
IUPAC Name 3-[(1s,3s)-1-propyl-3-piperidyl]benzonitrile
Molecular Mass 228.333 g·mol−1
Heat of Formation 141.7 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 306.89 Å 3
Surface Area 284.1 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3s)-1-propyl-3-piperidyl]benzonitrile
  • 3-[(3s)-1-propylpiperidin-3-yl]benzonitrile
InChIKey GQRIAOUUYRIMLH-OAHLLOKOSA-N
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Elements H C N