Geometry & MOs

Info

ID:

317151

PubChem CID:

126632668

Reduced:

ON9H61C99 (1)

Stoich.:

AB9C61D99 (1)

Weight, g/mol:

997.30529

ΔHf, kcal/mol:

482.75

Dipole, Da:

4.2

IP(EA), eV:

 -7.95(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4,6-bis(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=NC(=NC(=N1)N1C3=C(C=C(C=C3)N(C3=CC=CC=C3)C3=CC=CC=C3)C3=CC=CC=C31)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)OC3=CC=CC=C34)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations