Geometry & MOs

Info

ID:	241431
PubChem CID:	96023401
Reduced:	FN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	268.122321
ΔH_f, kcal/mol:	-152.86
Dipole, Da:	2.8
IP(EA), eV:	-9.07(-0.32)
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]methyl-methylamino]acetic acid

Drug info:

PubChemData

Smile

CN(C[C@H]1C2=C(CCN1)C=CC(=C2F)O)CC(=O)O

DOS

IR

Vibrations