Geometry & MOs

Info

ID:	139666
PubChem CID:	52576676
Reduced:	ClN3O4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	432.140925
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	3.91
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCOC1=CC=C(C=C1)Cl)C(=O)COC2=NN=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations