Geometry & MOs

Info

ID:	89151
PubChem CID:	49959683
Reduced:	Br2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	487.8961
ΔH_f, kcal/mol:	-16.29
Dipole, Da:	5.21
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations