Geometry & MOs

Info

ID:	241415
PubChem CID:	96023376
Reduced:	FNOS2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	254.106671
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	4.74
IP(EA), eV:	-8.75(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC(SC1)[C@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations