Geometry & MOs

Info

ID:	241530
PubChem CID:	96023563
Reduced:	NOF2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	283.11209
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	2.04
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations