Geometry & MOs

Info

ID:

377467

PubChem CID:

134223521

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

920.351512

ΔHf, kcal/mol:

226.85

Dipole, Da:

1.94

IP(EA), eV:

 -7.75(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)N(C6=C5C=CC(=C6)C7=CC8=C(C=C7)N(C9=C8C=CC1=C9OC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations