Geometry & MOs

Info

ID:	241509
PubChem CID:	96023523
Reduced:	FN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	258.116841
ΔH_f, kcal/mol:	-87.32
Dipole, Da:	5.68
IP(EA), eV:	-8.92(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(6-methylpyridin-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)C3=CC=CNC3=O

DOS

IR

Vibrations