Geometry & MOs

Info

ID:	23269
PubChem CID:	602960
Reduced:	NC5H5 (3)
Stoich.:	AB5C5 (3)
Weight, g/mol:	237.126598
ΔH_f, kcal/mol:	81.83
Dipole, Da:	3.47
IP(EA), eV:	-8.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-anilino-2-methyl-3-pyridin-4-ylpropanenitrile

Drug info:

PubChemData

Smile

CC(C#N)C(C1=CC=NC=C1)NC2=CC=CC=C2

DOS

IR

Vibrations