Geometry & MOs

Info

ID:

315969

PubChem CID:

126629511

Reduced:

N2H38C61 (1)

Stoich.:

A2B38C61 (1)

Weight, g/mol:

812.282764

ΔHf, kcal/mol:

276.65

Dipole, Da:

0.61

IP(EA), eV:

 -8.11(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8'-dibenzofuran-4-yl-11',12-diphenylspiro[indeno[1,2-a]carbazole-7,12'-indeno[2,1-a]carbazole]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC(=CC=C4)C5=CC6=C(C=C5)N(C7=C6C=CC8=C7C9(C1=CC=CC=C81)C1=CC=CC=C1C1=CC=CC=C91)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations