Geometry & MOs

Info

ID:	297674
PubChem CID:	117625373
Reduced:	NF3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	277.108977
ΔH_f, kcal/mol:	-278.9
Dipole, Da:	4.2
IP(EA), eV:	-9.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-4-[4-fluoro-3-(trifluoromethyl)phenyl]piperidin-3-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC([C@@H](C1)CO)C2=CC(=C(C=C2F)F)F

DOS

IR

Vibrations