Geometry & MOs

Info

ID:	209255
PubChem CID:	80644353
Reduced:	ClNSO3C11H12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	261.996762
ΔH_f, kcal/mol:	-120.37
Dipole, Da:	6.43
IP(EA), eV:	-9.67(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorothiophen-2-yl)-3-oxo-2-pyridin-4-ylpropanenitrile

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)O)NC(=O)C2=C(C=CS2)Cl

DOS

IR

Vibrations