Geometry & MOs

Info

ID:	337321
PubChem CID:	127257003
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	276.066555
ΔH_f, kcal/mol:	-113.41
Dipole, Da:	4.32
IP(EA), eV:	-8.58(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-N,2-dimethylanilino)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NCCOC(=O)C2=CN=CC=C2)OC

DOS

IR

Vibrations