Geometry & MOs

Info

ID:	89290
PubChem CID:	49960284
Reduced:	BrN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	529.94305
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	7.17
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCC2=NN=C(O2)C3=CC=CC=C3OC)Br

DOS

IR

Vibrations