Geometry & MOs

Info

ID:	241485
PubChem CID:	96023471
Reduced:	FN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	250.111756
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	2.32
IP(EA), eV:	-9.05(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)[C@H]3C[C@H](CN3)O

DOS

IR

Vibrations