Geometry & MOs

Info

ID:	88917
PubChem CID:	49957711
Reduced:	BrClN2O3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	378.053798
ΔH_f, kcal/mol:	-42.91
Dipole, Da:	4.36
IP(EA), eV:	-9.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=CC(=C(C(=C3)C)Cl)C)Br

DOS

IR

Vibrations