Geometry & MOs

Info

ID:	241835
PubChem CID:	96024367
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	288.102941
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	5.29
IP(EA), eV:	-8.84(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C3=CC(=C(C=C3)Cl)O

DOS

IR

Vibrations