Geometry & MOs

Info

ID:	241341
PubChem CID:	96023240
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-29.45
Dipole, Da:	4.62
IP(EA), eV:	-9.01(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-[(3R)-piperidin-3-yl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)CN3C=CN=C3

DOS

IR

Vibrations