Geometry & MOs

Info

ID:	200525
PubChem CID:	79405093
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	197.152812
ΔH_f, kcal/mol:	20.16
Dipole, Da:	4.72
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-butyl-1,2,4-oxadiazol-5-yl)butan-2-amine

Drug info:

PubChemData

Smile

CCCCC1=NOC(=N1)C2=C(C=CC(=C2)N)Cl

DOS

IR

Vibrations