Geometry & MOs

Info

ID:	242506
PubChem CID:	96107622
Reduced:	FON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	277.15904
ΔH_f, kcal/mol:	-52.77
Dipole, Da:	2.49
IP(EA), eV:	-8.83(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[6-fluoro-1-(1-methylpiperidin-4-yl)benzimidazol-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(N1C3CCN(CC3)C)C(=CC=C2)F)O

DOS

IR

Vibrations