Geometry & MOs

Info

ID:	241358
PubChem CID:	96023286
Reduced:	FNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	273.116507
ΔH_f, kcal/mol:	-94.78
Dipole, Da:	3.34
IP(EA), eV:	-8.83(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-(4-hydroxy-2-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O)[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations