Geometry & MOs

Info

ID:	89152
PubChem CID:	49959689
Reduced:	ClBr2N2O3H13C17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	437.94015
ΔH_f, kcal/mol:	-10.28
Dipole, Da:	5.0
IP(EA), eV:	-9.11(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=NN=C(O2)COC3=C(C=C(C=C3)Br)Cl)Br

DOS

IR

Vibrations