Geometry & MOs

Info

ID:	186269
PubChem CID:	77413400
Reduced:	OCl2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	-13.58
Dipole, Da:	6.16
IP(EA), eV:	-8.22(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-[3-(4-methylpiperazin-1-yl)phenyl]-3H-pyridin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations