Geometry & MOs

Info

ID:	395969
PubChem CID:	135027041
Reduced:	N3H17C18 (1)
Stoich.:	A3B17C18 (1)
Weight, g/mol:	291.137162
ΔH_f, kcal/mol:	91.26
Dipole, Da:	6.65
IP(EA), eV:	-9.41(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC2=CC=CC(=N2)C)C(C#N)C#N

DOS

IR

Vibrations