Geometry & MOs

Info

ID:	89233
PubChem CID:	49960088
Reduced:	Cl2N2O2H12C17 (1)
Stoich.:	A2B2C2D12E17 (1)
Weight, g/mol:	325.106256
ΔH_f, kcal/mol:	27.05
Dipole, Da:	5.17
IP(EA), eV:	-9.21(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-ethylphenoxy)methyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C2=NN=C(O2)COC3=CC=CC=C3Cl)Cl

DOS

IR

Vibrations