Geometry & MOs

Info

ID:	157124
PubChem CID:	56422163
Reduced:	SN3O5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	359.134443
ΔH_f, kcal/mol:	-160.01
Dipole, Da:	10.66
IP(EA), eV:	-9.35(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)C(=O)C3CCN(CC3)C4=NS(=O)(=O)C5=CC=CC=C54

DOS

IR

Vibrations