Geometry & MOs

Info

ID:	269265
PubChem CID:	103616651
Reduced:	SN2F3O4C11H13 (1)
Stoich.:	AB2C3D4E11F13 (1)
Weight, g/mol:	241.092578
ΔH_f, kcal/mol:	-298.63
Dipole, Da:	6.55
IP(EA), eV:	-10.18(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxypiperidin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC(=O)COCC(F)(F)F)S(=O)(=O)N

DOS

IR

Vibrations