Geometry & MOs

Info

ID:	68836
PubChem CID:	46509192
Reduced:	FOSN3H18C21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	403.085432
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	3.3
IP(EA), eV:	-9.0(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(S2)C=CC(=C3)F)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations