Geometry & MOs

Info

ID:	76704
PubChem CID:	48425267
Reduced:	N2F3O3C19H27 (1)
Stoich.:	A2B3C3D19E27 (1)
Weight, g/mol:	388.197377
ΔH_f, kcal/mol:	-283.09
Dipole, Da:	4.04
IP(EA), eV:	-8.94(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylphenoxy)-1-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)CCCOCC(F)(F)F)C

DOS

IR

Vibrations