Geometry & MOs

Info

ID:	241384
PubChem CID:	96023327
Reduced:	OF2N2H12C14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-78.43
Dipole, Da:	2.77
IP(EA), eV:	-9.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations