Geometry & MOs

Info

ID:	241491
PubChem CID:	96023479
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	267.127072
ΔH_f, kcal/mol:	-170.74
Dipole, Da:	5.12
IP(EA), eV:	-9.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations