Geometry & MOs

Info

ID:

311850

PubChem CID:

126598389

Reduced:

NH45C48 (1)

Stoich.:

AB45C48 (1)

Weight, g/mol:

760.47565

ΔHf, kcal/mol:

99.14

Dipole, Da:

2.05

IP(EA), eV:

 -7.91(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC6=C(C=C5N4C7=CC(=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9)C(C(C6(C)C)(C)C)(C)C)C

DOS

IR

Vibrations