Geometry & MOs

Info

ID:	186270
PubChem CID:	77413401
Reduced:	ClON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	298.063968
ΔH_f, kcal/mol:	22.74
Dipole, Da:	5.19
IP(EA), eV:	-8.38(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-[3-(propylamino)phenyl]-3H-pyridin-2-one;hydrochloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=CC(=C2)C3=NC(=O)C(C=C3)Cl

DOS

IR

Vibrations