Geometry & MOs

Info

ID:	241326
PubChem CID:	96022754
Reduced:	FNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	241.075036
ΔH_f, kcal/mol:	-171.05
Dipole, Da:	8.61
IP(EA), eV:	-8.66(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1R)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

C1CC(CCC1[C@H]2C3=CC(=C(C=C3CCN2)F)O)C(=O)O

DOS

IR

Vibrations