[(3R)-3-(Hydroxymethyl)-1-Piperidinyl]{4-[(4-Methoxyphenyl)Ethynyl]Phenyl}Methanone

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Formula C22H23NO3
IUPAC Name [(3r)-3-(hydroxymethyl)-1-piperidyl]-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]methanone
Molecular Mass 349.423 g·mol−1
Heat of Formation -141.9 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 431.66 Å 3
Surface Area 392.99 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
InChIKey VSLWUPHHCFQTDB-LJQANCHMSA-N
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