Geometry & MOs

Info

ID:	241531
PubChem CID:	96023564
Reduced:	FON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	283.11209
ΔH_f, kcal/mol:	-10.86
Dipole, Da:	6.06
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3H-benzimidazol-5-yl)-8-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