Geometry & MOs

Info

ID:	89101
PubChem CID:	49959385
Reduced:	ClNOH9C11 (2)
Stoich.:	ABCD9E11 (2)
Weight, g/mol:	423.038876
ΔH_f, kcal/mol:	4.84
Dipole, Da:	5.64
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC3=NN=C(O3)CCCOC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations