Geometry & MOs

Info

ID:	89288
PubChem CID:	49960266
Reduced:	Br2N2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	483.99561
ΔH_f, kcal/mol:	-47.23
Dipole, Da:	2.94
IP(EA), eV:	-9.07(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)C(C)C)Br)Br

DOS

IR

Vibrations