Geometry & MOs

Info

ID:	89137
PubChem CID:	49959567
Reduced:	N2Br3O3H13C17 (1)
Stoich.:	A2B3C3D13E17 (1)
Weight, g/mol:	467.95072
ΔH_f, kcal/mol:	-3.45
Dipole, Da:	1.21
IP(EA), eV:	-9.22(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations