Geometry & MOs

Info

ID:	241562
PubChem CID:	96023714
Reduced:	FNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	227.078013
ΔH_f, kcal/mol:	-88.91
Dipole, Da:	3.45
IP(EA), eV:	-8.93(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(2-sulfanylethyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1C2=C(CCN1)C=CC(=C2F)O

DOS

IR

Vibrations