Geometry & MOs

Info

ID:	241489
PubChem CID:	96023476
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	-168.66
Dipole, Da:	6.74
IP(EA), eV:	-9.03(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)[C@@H]1C2=C(CCN1)C=CC(=C2F)O

DOS

IR

Vibrations