Geometry & MOs

Info

ID:

316510

PubChem CID:

126631054

Reduced:

O3N5H43C76 (1)

Stoich.:

A3B5C43D76 (1)

Weight, g/mol:

894.263091

ΔHf, kcal/mol:

288.83

Dipole, Da:

3.05

IP(EA), eV:

 -8.26(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)quinolin-7-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC(=NC(=N5)C6=CC=C(C=C6)N7C8=C(C9=CC=CC=C97)C1=C(C=C8)C2=CC=CC=C2O1)C1=CC=C(C=C1)N1C2=C(C4=CC=CC=C41)C1=C(C=C2)C2=CC=CC=C2O1)C=CC1=C3OC2=CC=CC=C12

DOS

IR

Vibrations