Geometry & MOs

Info

ID:	76694
PubChem CID:	48425255
Reduced:	F3N3O3C18H22 (1)
Stoich.:	A3B3C3D18E22 (1)
Weight, g/mol:	392.172305
ΔH_f, kcal/mol:	-230.01
Dipole, Da:	1.79
IP(EA), eV:	-8.71(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-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)COC2=CC=CC=C2C#N

DOS

IR

Vibrations