Geometry & MOs

Info

ID:	89040
PubChem CID:	49958862
Reduced:	Br2N2O2H14C17 (1)
Stoich.:	A2B2C2D14E17 (1)
Weight, g/mol:	358.03169
ΔH_f, kcal/mol:	20.06
Dipole, Da:	3.94
IP(EA), eV:	-9.58(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NN=C(O2)CC3=CC=CC=C3)Br)Br

DOS

IR

Vibrations