Geometry & MOs

Info

ID:	241522
PubChem CID:	96023549
Reduced:	FN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	292.158706
ΔH_f, kcal/mol:	-125.65
Dipole, Da:	5.24
IP(EA), eV:	-9.09(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-[(1S)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-propan-2-ylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)N1C[C@H](CC1=O)[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations