Geometry & MOs

Info

ID:	241479
PubChem CID:	96023464
Reduced:	FON3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	245.09644
ΔH_f, kcal/mol:	-7.65
Dipole, Da:	6.95
IP(EA), eV:	-9.23(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-pyridazin-4-yl-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)C3=CN=NC=C3

DOS

IR

Vibrations