Geometry & MOs

Info

ID:	89241
PubChem CID:	49960120
Reduced:	ClN2Br3O3H12C20 (1)
Stoich.:	AB2C3D3E12F20 (1)
Weight, g/mol:	551.9274
ΔH_f, kcal/mol:	18.04
Dipole, Da:	3.8
IP(EA), eV:	-9.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-3,5-dimethylphenoxy)methyl]-5-[(1,6-dibromonaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Br)OCC2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br

DOS

IR

Vibrations