Geometry & MOs

Info

ID:	241344
PubChem CID:	96023251
Reduced:	OF2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	278.062219
ΔH_f, kcal/mol:	-77.59
Dipole, Da:	2.84
IP(EA), eV:	-9.1(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-chloropyridin-2-yl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations