Geometry & MOs

Info

ID:	297326
PubChem CID:	117615155
Reduced:	NC11H17 (1)
Stoich.:	AB11C17 (1)
Weight, g/mol:	428.153452
ΔH_f, kcal/mol:	11.02
Dipole, Da:	1.39
IP(EA), eV:	-8.52(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpiperidin-4-yl)-5,6-dichloro-2-[(3R)-pyrrolidin-3-yl]benzimidazole

Drug info:

PubChemData

Smile

CC1C=CC=C2C1N(CCC2)C

DOS

IR

Vibrations