Geometry & MOs

Info

ID:	14548
PubChem CID:	414479
Reduced:	O2N3H12C16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	278.092952
ΔH_f, kcal/mol:	28.66
Dipole, Da:	4.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.866915
Charge, e:	1

Chem-info

IUPAC name:

4-(3H-imidazo[1,5-a]benzimidazol-2-ium-2-yl)benzoic acid

Drug info:

PubChemData

Smile

C1C2=NC3=CC=CC=C3N2C=[N+]1C4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations