Geometry & MOs

Info

ID:	241386
PubChem CID:	96023329
Reduced:	FN2O2C15H15 (1)
Stoich.:	AB2C2D15E15 (1)
Weight, g/mol:	274.111756
ΔH_f, kcal/mol:	-87.66
Dipole, Da:	4.79
IP(EA), eV:	-8.65(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations