Geometry & MOs

Info

ID:	272551
PubChem CID:	103745049
Reduced:	ClON4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	26.99
Dipole, Da:	1.64
IP(EA), eV:	-9.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-ethylsulfanylpropyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CN(N=C1)CCC(=O)NC2=C(C=CN=C2)Cl

DOS

IR

Vibrations