Geometry & MOs

Info

ID:	270871
PubChem CID:	103638477
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	237.06689
ΔH_f, kcal/mol:	-49.87
Dipole, Da:	3.77
IP(EA), eV:	-9.38(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(1-cyanobutyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(CCC#N)C(=O)C1=CC(=O)N(C=C1)C

DOS

IR

Vibrations