Geometry & MOs

Info

ID:	270872
PubChem CID:	103638481
Reduced:	ClON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	271.027917
ΔH_f, kcal/mol:	-0.08
Dipole, Da:	4.51
IP(EA), eV:	-10.52(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-(1-cyanobutyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C#N)NC(=O)C1=NC=CC(=C1)Cl

DOS

IR

Vibrations