Geometry & MOs

Info

ID:	89138
PubChem CID:	49959573
Reduced:	Br2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	467.95072
ΔH_f, kcal/mol:	-13.03
Dipole, Da:	4.23
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations