Geometry & MOs

Info

ID:	241881
PubChem CID:	96024487
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	288.102941
ΔH_f, kcal/mol:	-20.44
Dipole, Da:	3.24
IP(EA), eV:	-8.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=CC(=CNC3=O)Cl)C=C1)C

DOS

IR

Vibrations