Geometry & MOs

Info

ID:

143616

PubChem CID:

53235783

Reduced:

ClN5C34H36 (1)

Stoich.:

AB5C34D36 (1)

Weight, g/mol:

514.297071

ΔHf, kcal/mol:

131.74

Dipole, Da:

11.61

IP(EA), eV:

 -7.77(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(4S,5S)-N-[(4S,5S)-1,3-dimethyl-4,5-diphenyl-4,5-dihydroimidazol-1-ium-2-yl]-1,3-dimethyl-4,5-diphenylimidazolidin-2-imine

Drug info:

PubChemData

Smile

CN1[C@H]([C@@H](N(C1=NC2=[N+]([C@H]([C@@H](N2C)C3=CC=CC=C3)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]

DOS

IR

Vibrations