Geometry & MOs

Info

ID:	88926
PubChem CID:	49957820
Reduced:	ClN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	378.053798
ΔH_f, kcal/mol:	-53.09
Dipole, Da:	2.36
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations