Geometry & MOs

Info

ID:	186268
PubChem CID:	77413399
Reduced:	S2O6N7H23C28 (1)
Stoich.:	A2B6C7D23E28 (1)
Weight, g/mol:	339.090518
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	3.95
IP(EA), eV:	-9.17(-1.57)
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;hydrochloride

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3NC(=O)C4=NC5=CC=CC=C5N4)C(=O)O)CSC6C=CC(=O)N=N6

DOS

IR

Vibrations