Geometry & MOs

Info

ID:	212239
PubChem CID:	81059908
Reduced:	BrClN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	258.093918
ΔH_f, kcal/mol:	61.0
Dipole, Da:	3.64
IP(EA), eV:	-9.23(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations