Geometry & MOs

Info

ID:	242595
PubChem CID:	97857549
Reduced:	FN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	265.147807
ΔH_f, kcal/mol:	-142.8
Dipole, Da:	4.4
IP(EA), eV:	-9.11(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CN1C(=O)[C@](NC1=O)(C)C2CC2)OC3=CC(=CC=C3)F

DOS

IR

Vibrations