Geometry & MOs

Info

ID:	89135
PubChem CID:	49959561
Reduced:	N2O2Br3H11C16 (1)
Stoich.:	A2B2C3D11E16 (1)
Weight, g/mol:	545.86123
ΔH_f, kcal/mol:	30.65
Dipole, Da:	1.8
IP(EA), eV:	-9.43(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2,6-dimethylphenoxy)methyl]-5-[(2,4-dibromophenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)Br)Br)Br

DOS

IR

Vibrations