Geometry & MOs

Info

ID:	52491
PubChem CID:	12015369
Reduced:	NOC3H3 (9)
Stoich.:	ABC3D3 (9)
Weight, g/mol:	468.206245
ΔH_f, kcal/mol:	-259.02
Dipole, Da:	8.6
IP(EA), eV:	-9.77(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3,5-bis(benzimidazol-1-ylmethyl)phenyl]methyl]benzimidazole

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(=O)N[C@@H](CC2=CN=CN2)C(=O)O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)O)C(=O)N[C@@H](CC4=CN=CN4)C(=O)O

DOS

IR

Vibrations