Geometry & MOs

Info

ID:	241416
PubChem CID:	96023378
Reduced:	FN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	254.106671
ΔH_f, kcal/mol:	-149.76
Dipole, Da:	8.12
IP(EA), eV:	-9.32(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations