Geometry & MOs

Info

ID:	250356
PubChem CID:	103095949
Reduced:	ClON3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	296.09277
ΔH_f, kcal/mol:	57.39
Dipole, Da:	3.7
IP(EA), eV:	-10.42(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chlorobutyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCCC(C1=NOC(=N1)C2=CC=CC(=C2)C#N)Cl

DOS

IR

Vibrations