Geometry & MOs

Info

ID:	241487
PubChem CID:	96023473
Reduced:	FN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	250.111756
ΔH_f, kcal/mol:	-114.45
Dipole, Da:	6.02
IP(EA), eV:	-9.19(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(1S)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N[C@@H]1[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations