Geometry & MOs

Info

ID:	89202
PubChem CID:	49959888
Reduced:	Br2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	453.93507
ΔH_f, kcal/mol:	-23.27
Dipole, Da:	4.53
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dibromo-6-methylphenoxy)methyl]-5-(2-methoxyphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)COC3=C(C=C(C=C3C)Br)Br

DOS

IR

Vibrations