Geometry & MOs

Info

ID:

377593

PubChem CID:

134223654

Reduced:

O4N9H57C109 (1)

Stoich.:

A4B9C57D109 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

488.98

Dipole, Da:

5.35

IP(EA), eV:

 -8.22(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-11-phenyl-[1]benzofuro[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)OC7=C6C=C8C9=CC=CC=C9N(C8=C7)C1=CC=C(C=C1)C1=CC=CC2=C1OC1=CC4=C(C=C21)C1=C(N4C2=CC(=CC(=C2)C#N)C#N)C=CC(=C1)C1=CC2=C(C=C1)N(C1=C2C=C2C4=CC=CC=C4OC2=C1)C1=CC=CC(=C1)C#N)C1=C3C=C2C(=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations