Geometry & MOs

Info

ID:	250339
PubChem CID:	103095805
Reduced:	ClN2O2C11H19 (1)
Stoich.:	AB2C2D11E19 (1)
Weight, g/mol:	311.067284
ΔH_f, kcal/mol:	-62.21
Dipole, Da:	3.31
IP(EA), eV:	-9.98(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(3-methoxy-4-nitrophenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)CCCOCC)Cl

DOS

IR

Vibrations