Geometry & MOs

Info

ID:	241532
PubChem CID:	96023565
Reduced:	FON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	283.11209
ΔH_f, kcal/mol:	-13.69
Dipole, Da:	1.99
IP(EA), eV:	-8.95(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3H-benzimidazol-5-yl)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=CC(=C2F)O)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations