Geometry & MOs

Info

ID:	241392
PubChem CID:	96023336
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-72.4
Dipole, Da:	3.91
IP(EA), eV:	-9.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)[C@@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations