Geometry & MOs

Info

ID:	241492
PubChem CID:	96023481
Reduced:	FNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	271.085601
ΔH_f, kcal/mol:	-169.84
Dipole, Da:	6.61
IP(EA), eV:	-8.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CC(=O)O)[C@H]1C2=CC(=C(C=C2CCN1)F)O

DOS

IR

Vibrations