Geometry & MOs

Info

ID:	241463
PubChem CID:	96023446
Reduced:	FNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	251.095771
ΔH_f, kcal/mol:	-139.52
Dipole, Da:	3.44
IP(EA), eV:	-9.05(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)C3(CC3)C(=O)O

DOS

IR

Vibrations