Geometry & MOs

Info

ID:	241382
PubChem CID:	96023322
Reduced:	OF2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	262.091769
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	3.31
IP(EA), eV:	-9.09(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-(5-fluoropyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations