Geometry & MOs

Info

ID:	203819
PubChem CID:	79874533
Reduced:	F3N3O3H10C12 (1)
Stoich.:	A3B3C3D10E12 (1)
Weight, g/mol:	291.098332
ΔH_f, kcal/mol:	-217.4
Dipole, Da:	4.69
IP(EA), eV:	-10.06(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylanilino)-6-(trifluoromethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1COCC1(C(=O)O)NC2=C(C=CC(=N2)C(F)(F)F)C#N

DOS

IR

Vibrations