Geometry & MOs

Info

ID:	212543
PubChem CID:	81060909
Reduced:	ClON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	291.098332
ΔH_f, kcal/mol:	11.24
Dipole, Da:	4.38
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[2-(trifluoromethyl)anilino]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC2=C(C(=NC(=C2)C)C)C#N

DOS

IR

Vibrations