Geometry & MOs

Info

ID:	89143
PubChem CID:	49959644
Reduced:	BrN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	487.8961
ΔH_f, kcal/mol:	-10.89
Dipole, Da:	4.5
IP(EA), eV:	-9.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(O2)COC3=CC=C(C=C3)Br

DOS

IR

Vibrations