Geometry & MOs

Info

ID:	89012
PubChem CID:	49958740
Reduced:	BrCl2N2O3H11C16 (1)
Stoich.:	AB2C2D3E11F16 (1)
Weight, g/mol:	441.94866
ΔH_f, kcal/mol:	-21.76
Dipole, Da:	5.0
IP(EA), eV:	-9.25(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl)Br

DOS

IR

Vibrations