Geometry & MOs

Info

ID:	241345
PubChem CID:	96023252
Reduced:	ClFON2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	260.096106
ΔH_f, kcal/mol:	-36.07
Dipole, Da:	2.32
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(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=C(C=CC=N3)Cl

DOS

IR

Vibrations