Geometry & MOs

Info

ID:

45138

PubChem CID:

10508307

Reduced:

ON4C35H45 (1)

Stoich.:

AB4C35D45 (1)

Weight, g/mol:

636.226037

ΔHf, kcal/mol:

30.23

Dipole, Da:

1.42

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.029464

Charge, e:

 0

Chem-info

IUPAC name:

9-benzyl-2-(9-benzyl-3-methyl-1,4,5-trioxo-7,8-dihydro-6H-carbazol-2-yl)-3-methyl-7,8-dihydro-6H-carbazole-1,4,5-trione

Drug info:

PubChemData

Smile

CCCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)OC1=[NH+]2)CCC)CC)C)CC)C(=C3C)CC)CC

DOS

IR

Vibrations