Geometry & MOs

Info

ID:	212612
PubChem CID:	81061196
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	319.064303
ΔH_f, kcal/mol:	-7.2
Dipole, Da:	6.0
IP(EA), eV:	-8.7(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations