Geometry & MOs

Info

ID:	241446
PubChem CID:	96023423
Reduced:	FNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	276.073262
ΔH_f, kcal/mol:	-64.19
Dipole, Da:	3.95
IP(EA), eV:	-8.81(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-pyridine-2-thione

Drug info:

PubChemData

Smile

C1CC(C1)[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations