Geometry & MOs

Info

ID:	89136
PubChem CID:	49959562
Reduced:	N2Br3O3H15C18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	531.84558
ΔH_f, kcal/mol:	-7.97
Dipole, Da:	1.66
IP(EA), eV:	-9.34(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)COC3=C(C=C(C=C3)Br)Br)C)Br

DOS

IR

Vibrations