Geometry & MOs

Info

ID:	241507
PubChem CID:	96023520
Reduced:	FN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	260.096106
ΔH_f, kcal/mol:	-81.75
Dipole, Da:	0.63
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)C3=CC=CNC3=O

DOS

IR

Vibrations