4-{[(3R,4S)-4-(4-Fluorophenyl)-3-Piperidinyl]Methoxy}-2-Methoxyphenol

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Properties Simple | Detailed

Formula C19H22FNO3
IUPAC Name 4-[[(3r,4s)-4-(4-fluorophenyl)-3-piperidyl]methoxy]-2-methoxy-phenol
Molecular Mass 331.381 g·mol−1
Heat of Formation -531.8 ± 16.7 kJ·mol−1
Dipole Moment 1.04 ± 1.08 D
Volume 398.56 Å 3
Surface Area 319.63 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
InChIKey DTXXMQRFTUCBHG-RHSMWYFYSA-N
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