Geometry & MOs

Info

ID:	241342
PubChem CID:	96023247
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	262.091769
ΔH_f, kcal/mol:	-80.55
Dipole, Da:	0.19
IP(EA), eV:	-8.86(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-(5-fluoropyridin-3-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)[C@@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations