Geometry & MOs

Info

ID:	88976
PubChem CID:	49958436
Reduced:	BrClN2O3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	311.090606
ΔH_f, kcal/mol:	-9.75
Dipole, Da:	2.32
IP(EA), eV:	-9.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenoxy)methyl]-5-(2-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations