Geometry & MOs

Info

ID:	89010
PubChem CID:	49958727
Reduced:	Cl2N3O4H9C15 (1)
Stoich.:	A2B3C4D9E15 (1)
Weight, g/mol:	447.972903
ΔH_f, kcal/mol:	12.34
Dipole, Da:	6.99
IP(EA), eV:	-9.46(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dichlorophenoxy)methyl]-5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations