Geometry & MOs

Info

ID:	68823
PubChem CID:	46509161
Reduced:	SO4N5C21H25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	369.124405
ΔH_f, kcal/mol:	-97.86
Dipole, Da:	5.84
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations