Geometry & MOs

Info

ID:

226057

PubChem CID:

87304205

Reduced:

BSO2N4C20H24 (1)

Stoich.:

ABC2D4E20F24 (1)

Weight, g/mol:

336.12011

ΔHf, kcal/mol:

128.83

Dipole, Da:

1.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.895340

Charge, e:

 0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-3-hexylimidazol-3-ium;bromide

Drug info:

PubChemData

Smile

[B-]C12CCC(CC1)[C@]3(C2)C(N=C(O3)NC4=NC(=CS4)C5=CC=C(C=C5)OC)[NH3+]

DOS

IR

Vibrations