Geometry & MOs

Info

ID:	88959
PubChem CID:	49958226
Reduced:	Br2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	481.96637
ΔH_f, kcal/mol:	-12.0
Dipole, Da:	3.87
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dibromo-6-methylphenoxy)methyl]-5-[(2,6-dimethylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations