Geometry & MOs

Info

ID:

174863

PubChem CID:

75824031

Reduced:

SN2O3H5C11 (1)

Stoich.:

AB2C3D5E11 (1)

Weight, g/mol:

284.212673

ΔHf, kcal/mol:

52.94

Dipole, Da:

7.06

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.910996

Charge, e:

 1

Chem-info

IUPAC name:

2-(1-cyclohexylpyrrolidin-1-ium-3-yl)-6-methyl-1H-benzimidazole

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=NC(=CS2)C=C(C#N)C(=O)[O-]

DOS

IR

Vibrations