Geometry & MOs

Info

ID:	295480
PubChem CID:	117530420
Reduced:	ClN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	11.15
Dipole, Da:	3.86
IP(EA), eV:	-8.92(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-5-propyl-1H-pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C)C(CNC)C1=CC(=CC=C1)Cl

DOS

IR

Vibrations