Geometry & MOs

Info

ID:

319534

PubChem CID:

126656564

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

222.72

Dipole, Da:

5.19

IP(EA), eV:

 -8.04(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-carbazol-9-ylphenyl)-12-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=C5C(=C6C(=C4)C7=CC=CC=C7O6)C8=CC=CC=C8N5C9=CC1=C(C=C9)N(C3=CC=CC=C31)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations