Geometry & MOs

Info

ID:	241478
PubChem CID:	96023463
Reduced:	FNOC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	245.09644
ΔH_f, kcal/mol:	-62.42
Dipole, Da:	3.66
IP(EA), eV:	-8.79(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](CC=C1)[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations