Geometry & MOs

Info

ID:	212240
PubChem CID:	81059915
Reduced:	SN4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	282.067224
ΔH_f, kcal/mol:	71.03
Dipole, Da:	5.6
IP(EA), eV:	-9.28(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-cyanoanilino)-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C)C2=NC=CS2

DOS

IR

Vibrations