Geometry & MOs

Info

ID:	395968
PubChem CID:	135027040
Reduced:	ClFN3H13C20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	275.142248
ΔH_f, kcal/mol:	74.38
Dipole, Da:	7.98
IP(EA), eV:	-9.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methylphenyl)-2-(6-methylpyridin-2-yl)ethyl]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CC2=NC3=C(C=CC=C3Cl)C=C2)C(C#N)C#N)F

DOS

IR

Vibrations