Geometry & MOs

Info

ID:

431589

PubChem CID:

135171677

Reduced:

N2O3H38C66 (1)

Stoich.:

A2B3C38D66 (1)

Weight, g/mol:

981.335528

ΔHf, kcal/mol:

211.51

Dipole, Da:

2.2

IP(EA), eV:

 -8.11(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-3-yl]-9-phenyl-6-[9-(3-phenylphenyl)carbazol-2-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=C7C(=C8C(=C6)C9=C(O8)C=C1C2=CC=CC=C2OC1=C9)C1=CC=CC=C1O7)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations