Geometry & MOs

Info

ID:	212329
PubChem CID:	81060163
Reduced:	ClON3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	21.65
Dipole, Da:	5.27
IP(EA), eV:	-8.8(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(3-methyl-1,1-dioxothiolan-3-yl)amino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=C(C=CC(=C2)Cl)OC

DOS

IR

Vibrations