Geometry & MOs

Info

ID:	153361
PubChem CID:	56312547
Reduced:	FSN3O4C25H26 (1)
Stoich.:	ABC3D4E25F26 (1)
Weight, g/mol:	359.170828
ΔH_f, kcal/mol:	-111.72
Dipole, Da:	7.25
IP(EA), eV:	-9.47(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-1-(4-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations