Geometry & MOs

Info

ID:	241533
PubChem CID:	96023566
Reduced:	FON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	261.091355
ΔH_f, kcal/mol:	-13.24
Dipole, Da:	3.21
IP(EA), eV:	-8.92(-0.32)
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-pyridazin-6-one

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations