Geometry & MOs

Info

ID:

377263

PubChem CID:

134223309

Reduced:

ON4H44C67 (1)

Stoich.:

AB4C44D67 (1)

Weight, g/mol:

894.299476

ΔHf, kcal/mol:

265.17

Dipole, Da:

2.57

IP(EA), eV:

 -7.98(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[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(=NC(=C7)C8=CC=CC=C8)C9=CC=CC=C9)C=CC(=C5)C1=CC2=C(C=C1)N(C1=C2C=C2C3=CC=CC=C3OC2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations