Geometry & MOs

Info

ID:	89150
PubChem CID:	49959682
Reduced:	BrN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	481.96637
ΔH_f, kcal/mol:	-41.75
Dipole, Da:	4.24
IP(EA), eV:	-8.59(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations