Geometry & MOs

Info

ID:

56777

PubChem CID:

22389658

Reduced:

NaSO7C16H28 (1)

Stoich.:

ABC7D16E28 (1)

Weight, g/mol:

160.100048

ΔHf, kcal/mol:

-368.52

Dipole, Da:

2.88

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.774031

Charge, e:

 0

Chem-info

IUPAC name:

1,2,4-trimethylbenzimidazole

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(CC(=O)[O-])(C(=O)[O-])S(=O)(=O)O.[Na+]

DOS

IR

Vibrations