Geometry & MOs

Info

ID:	16400
PubChem CID:	466886
Reduced:	ClN2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	302.04582
ΔH_f, kcal/mol:	-42.82
Dipole, Da:	4.58
IP(EA), eV:	-9.65(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl) 3-acetyl-4-cyano-4H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C=CC1C#N)C(=O)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations