Geometry & MOs

Info

ID:	136555
PubChem CID:	52062183
Reduced:	N2O2C12H15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	357.152693
ΔH_f, kcal/mol:	-57.68
Dipole, Da:	3.45
IP(EA), eV:	-8.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-fluorophenyl)-5-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)CN3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations