Geometry & MOs

Info

ID:	21448
PubChem CID:	588343
Reduced:	ClO3N5H12C13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	321.062867
ΔH_f, kcal/mol:	54.48
Dipole, Da:	3.23
IP(EA), eV:	-9.18(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C)C2=NC(=NO2)C3=NON=C3N)Cl

DOS

IR

Vibrations