Geometry & MOs

Info

ID:	657
PubChem CID:	3151
Reduced:	ClO2N5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	425.161853
ΔH_f, kcal/mol:	-39.47
Dipole, Da:	4.72
IP(EA), eV:	-8.75(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O

DOS

IR

Vibrations