Geometry & MOs

Info

ID:	89178
PubChem CID:	49959761
Reduced:	Cl2N2O3H10C14 (1)
Stoich.:	A2B2C3D10E14 (1)
Weight, g/mol:	467.95072
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	3.54
IP(EA), eV:	-9.3(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-4-ethylphenoxy)methyl]-5-(3-bromo-4-methoxyphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations