Geometry & MOs

Info

ID:	241334
PubChem CID:	96022918
Reduced:	FN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	278.062219
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	5.48
IP(EA), eV:	-8.9(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC[C@@H]1C2=CC(=C(C=C2CCN1)F)O

DOS

IR

Vibrations