Geometry & MOs

Info

ID:	242596
PubChem CID:	97857560
Reduced:	FNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-121.74
Dipole, Da:	3.58
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3-[(3R,4S)-3-hydroxy-4-methylpiperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CCN(C[C@@H]1O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations