Geometry & MOs

Info

ID:	241970
PubChem CID:	96024853
Reduced:	NO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-53.8
Dipole, Da:	4.73
IP(EA), eV:	-8.98(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(1R)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)[C@@H]3[C@H]4C[C@@H]([C@@H]3C(=O)O)C=C4

DOS

IR

Vibrations