Geometry & MOs

Info

ID:	89075
PubChem CID:	49959198
Reduced:	BrN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	453.93507
ΔH_f, kcal/mol:	-16.54
Dipole, Da:	4.35
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations