Geometry & MOs

Info

ID:	89317
PubChem CID:	49960463
Reduced:	BrN2O4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	481.96637
ΔH_f, kcal/mol:	-40.73
Dipole, Da:	4.8
IP(EA), eV:	-8.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations