Geometry & MOs

Info

ID:	241488
PubChem CID:	96023475
Reduced:	FN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	-112.19
Dipole, Da:	6.3
IP(EA), eV:	-9.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N[C@@H]1[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations