Geometry & MOs

Info

ID:	242081
PubChem CID:	96025615
Reduced:	FNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	288.102941
ΔH_f, kcal/mol:	-65.1
Dipole, Da:	2.08
IP(EA), eV:	-9.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-[(1S)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)C3=C(C=C(C=C3)F)O

DOS

IR

Vibrations