Geometry & MOs

Info

ID:	43877
PubChem CID:	10321919
Reduced:	O3N4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	458.221895
ΔH_f, kcal/mol:	-56.06
Dipole, Da:	4.96
IP(EA), eV:	-9.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylpiperazin-1-yl)-2-(2-naphthalen-2-yl-3H-benzimidazol-5-yl)-1H-benzimidazole

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H]1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)NC(=O)CCC4CCC=C4

DOS

IR

Vibrations