Geometry & MOs

Info

ID:

125879

PubChem CID:

50941915

Reduced:

N3C22H36 (1)

Stoich.:

A3B22C36 (1)

Weight, g/mol:

252.02621

ΔHf, kcal/mol:

19.22

Dipole, Da:

2.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.814740

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-3-phenylimidazol-1-ium;bromide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCN1C=[N+](C=N1)C2=CC=CC=C2

DOS

IR

Vibrations