Geometry & MOs

Info

ID:	241503
PubChem CID:	96023506
Reduced:	FNSO2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	258.116841
ΔH_f, kcal/mol:	-68.7
Dipole, Da:	4.34
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)C(=O)C3=CC=CS3

DOS

IR

Vibrations