Geometry & MOs

Info

ID:	241508
PubChem CID:	96023522
Reduced:	FN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	260.096106
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	5.4
IP(EA), eV:	-8.74(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)C3=CC=CNC3=O

DOS

IR

Vibrations