(5S)-3,3,5-Trimethylcyclohexyl Nicotinate

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Formula C15H21NO2
IUPAC Name [(1s,5s)-3,3,5-trimethylcyclohexyl] pyridine-3-carboxylate
Molecular Mass 247.333 g·mol−1
Heat of Formation -384.9 ± 16.7 kJ·mol−1
Dipole Moment 0.61 ± 1.08 D
Volume 321.31 Å 3
Surface Area 288.7 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey GQSGZTBDVNUIQS-YPMHNXCESA-N
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