Geometry & MOs

Info

ID:	76596
PubChem CID:	48425129
Reduced:	SN2F3O4C16H21 (1)
Stoich.:	AB2C3D4E16F21 (1)
Weight, g/mol:	352.233763
ΔH_f, kcal/mol:	-304.09
Dipole, Da:	2.58
IP(EA), eV:	-9.03(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(S1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations