Geometry & MOs

Info

ID:	89078
PubChem CID:	49959209
Reduced:	BrN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	388.04226
ΔH_f, kcal/mol:	9.4
Dipole, Da:	4.92
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NN=C(O2)COC3=C(C4=CC=CC=C4C=C3)Br

DOS

IR

Vibrations