Geometry & MOs

Info

ID:	241454
PubChem CID:	96023435
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	255.090686
ΔH_f, kcal/mol:	-88.66
Dipole, Da:	3.53
IP(EA), eV:	-8.7(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations