Geometry & MOs

Info

ID:

377584

PubChem CID:

134223643

Reduced:

N2O2H40C67 (1)

Stoich.:

A2B2C40D67 (1)

Weight, g/mol:

764.246378

ΔHf, kcal/mol:

239.56

Dipole, Da:

2.54

IP(EA), eV:

 -8.02(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-naphthalen-1-yl-10-(7-naphthalen-1-yl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N5C6=C(C=C(C=C6)C7=CC8=C(C=C7)N(C9=C8C=C1C2=CC=CC=C2OC1=C9)C1=CC=CC=C1)C1=C5C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations