Geometry & MOs

Info

ID:	76700
PubChem CID:	48425263
Reduced:	SN2O2F3C17H23 (1)
Stoich.:	AB2C2D3E17F23 (1)
Weight, g/mol:	388.197377
ΔH_f, kcal/mol:	-220.8
Dipole, Da:	1.75
IP(EA), eV:	-8.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CSC2=CC=CC=C2

DOS

IR

Vibrations