Geometry & MOs

Info

ID:

432774

PubChem CID:

135172911

Reduced:

O3N6C21H23 (1)

Stoich.:

A3B6C21D23 (1)

Weight, g/mol:

310.166785

ΔHf, kcal/mol:

-19.44

Dipole, Da:

11.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.308186

Charge, e:

 1

Chem-info

IUPAC name:

2-[4-[(1,3-dimethylbenzimidazol-3-ium-2-yl)diazenyl]anilino]ethanol

Drug info:

PubChemData

Smile

CN1C=C[N+](=C1N=NC2=CC=C(C=C2)NC3=CC=C(C=C3)NC(=O)CCC(=O)O)C

DOS

IR

Vibrations