Geometry & MOs

Info

ID:

431448

PubChem CID:

135171528

Reduced:

O2N3H27C49 (1)

Stoich.:

A2B3C27D49 (1)

Weight, g/mol:

664.215078

ΔHf, kcal/mol:

260.63

Dipole, Da:

3.44

IP(EA), eV:

 -8.18(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)carbazol-3-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)OC9=C8C=C1C(=C9)C3=C(O1)C=CC(=C3)C#N)C1=CC=CC=C12

DOS

IR

Vibrations