Geometry & MOs

Info

ID:	241429
PubChem CID:	96023399
Reduced:	FOSN2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	268.122321
ΔH_f, kcal/mol:	-24.46
Dipole, Da:	4.28
IP(EA), eV:	-9.01(-0.71)
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]methyl-methylamino]acetic acid

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)C3=CN=CS3

DOS

IR

Vibrations