Geometry & MOs

Info

ID:	212337
PubChem CID:	81060207
Reduced:	FIN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	257.098669
ΔH_f, kcal/mol:	38.44
Dipole, Da:	3.41
IP(EA), eV:	-9.15(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[(3-methylthiophen-2-yl)methylamino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC2=C(C=C(C=C2)F)I

DOS

IR

Vibrations