Geometry & MOs

Info

ID:	89111
PubChem CID:	49959477
Reduced:	ClN2O3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	407.98763
ΔH_f, kcal/mol:	-0.05
Dipole, Da:	5.86
IP(EA), eV:	-8.96(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC2=NN=C(O2)COC3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations