Geometry & MOs

Info

ID:	76566
PubChem CID:	48425093
Reduced:	SF3N3O3C17H20 (1)
Stoich.:	AB3C3D3E17F20 (1)
Weight, g/mol:	392.172305
ΔH_f, kcal/mol:	-214.4
Dipole, Da:	5.77
IP(EA), eV:	-8.75(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenoxy)-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)C2=CSC(=N2)C3=CC=CO3

DOS

IR

Vibrations