Geometry & MOs

Info

ID:	89155
PubChem CID:	49959693
Reduced:	BrN2O3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	333.9953
ΔH_f, kcal/mol:	23.29
Dipole, Da:	2.71
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NN=C(O3)COC4=CC=C(C=C4)Br

DOS

IR

Vibrations