Geometry & MOs

Info

ID:	17628
PubChem CID:	508383
Reduced:	Cl2O2N4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	404.080681
ΔH_f, kcal/mol:	43.17
Dipole, Da:	6.69
IP(EA), eV:	-9.15(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-1-[(4-nitrophenyl)methyl]-2-piperidin-4-ylbenzimidazole

Drug info:

PubChemData

Smile

C1CNCCC1C2=NC3=CC(=C(C=C3N2CC4=CC=C(C=C4)[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations