Geometry & MOs

Info

ID:	241451
PubChem CID:	96023430
Reduced:	ClFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	291.08262
ΔH_f, kcal/mol:	-53.6
Dipole, Da:	2.23
IP(EA), eV:	-8.92(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations