Geometry & MOs

Info

ID:	241354
PubChem CID:	96023279
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	262.091769
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	6.73
IP(EA), eV:	-8.8(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-(6-fluoropyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CN1C=C(N=C1)[C@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations