Geometry & MOs

Info

ID:	89292
PubChem CID:	49960296
Reduced:	BrClN2O3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	358.131742
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	1.37
IP(EA), eV:	-8.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-5-[(4-phenylphenoxy)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations