Geometry & MOs

Info

ID:	139667
PubChem CID:	52576677
Reduced:	F3O3N4H19C21 (1)
Stoich.:	A3B3C4D19E21 (1)
Weight, g/mol:	398.114568
ΔH_f, kcal/mol:	-160.03
Dipole, Da:	3.19
IP(EA), eV:	-8.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)COC3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations