Geometry & MOs

Info

ID:

447766

PubChem CID:

135285459

Reduced:

SN2O4H5C10 (1)

Stoich.:

AB2C4D5E10 (1)

Weight, g/mol:

280.237545

ΔHf, kcal/mol:

-32.93

Dipole, Da:

3.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.931198

Charge, e:

 0

Chem-info

IUPAC name:

2-cyanoguanidine;1-methyl-3-octyl-2H-imidazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2[O-])[N+]#N)C(=C1)OS(=O)[O-]

DOS

IR

Vibrations