Geometry & MOs

Info

ID:	241449
PubChem CID:	96023427
Reduced:	FOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	291.08262
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	6.49
IP(EA), eV:	-8.67(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(2-chlorophenyl)methyl]-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations