Geometry & MOs

Info

ID:	241458
PubChem CID:	96023439
Reduced:	FNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	255.090686
ΔH_f, kcal/mol:	-198.08
Dipole, Da:	5.13
IP(EA), eV:	-9.1(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=CC(=C2F)O)C[C@H](C(=O)O)O

DOS

IR

Vibrations