Geometry & MOs

Info

ID:	241535
PubChem CID:	96023570
Reduced:	FO2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	261.091355
ΔH_f, kcal/mol:	-63.98
Dipole, Da:	4.33
IP(EA), eV:	-9.17(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-6-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=NNC(=O)C=C3

DOS

IR

Vibrations