Geometry & MOs

Info

ID:

329594

PubChem CID:

126738791

Reduced:

NH8C10 (4)

Stoich.:

AB8C10 (4)

Weight, g/mol:

498.253195

ΔHf, kcal/mol:

200.8

Dipole, Da:

1.86

IP(EA), eV:

 -6.5(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

5,7-bis[(E)-2-(5-methyl-1H-imidazol-4-yl)ethenyl]-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,12,17,19,21-nonaene

Drug info:

PubChemData

Smile

C1C[N+]2=CC=CC=C2C3=C1C=CC4=C3C5=CC(=CC(=[N+]5CC4)/C=C/C6=CC7=CC=CC=C7N6)/C=C/C8=CC9=CC=CC=C9N8

DOS

IR

Vibrations