Geometry & MOs

Info

ID:	241554
PubChem CID:	96023685
Reduced:	ClFNOC11H13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	227.078013
ΔH_f, kcal/mol:	-90.2
Dipole, Da:	2.38
IP(EA), eV:	-9.07(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-[(1S)-1-sulfanylethyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations