Geometry & MOs

Info

ID:

377629

PubChem CID:

134223693

Reduced:

ON4H44C67 (1)

Stoich.:

AB4C44D67 (1)

Weight, g/mol:

920.351512

ΔHf, kcal/mol:

266.14

Dipole, Da:

3.12

IP(EA), eV:

 -7.99(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC=CC(=C6)C7=NC(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C=CC(=C5)C1=CC2=C(C=C1)OC1=C2C=C2C3=CC=CC=C3N(C2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations