Geometry & MOs

Info

ID:	241506
PubChem CID:	96023517
Reduced:	FON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	260.096106
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	4.41
IP(EA), eV:	-9.03(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations