Geometry & MOs

Info

ID:	88924
PubChem CID:	49957812
Reduced:	ClN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	392.069448
ΔH_f, kcal/mol:	-41.42
Dipole, Da:	4.19
IP(EA), eV:	-8.97(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC2=NN=C(O2)COC3=CC(=C(C(=C3)C)Cl)C

DOS

IR

Vibrations