Geometry & MOs

Info

ID:	242146
PubChem CID:	96026575
Reduced:	FON3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	290.088912
ΔH_f, kcal/mol:	-33.04
Dipole, Da:	3.85
IP(EA), eV:	-8.94(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-6-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-1H-pyridine-2-thione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations