Geometry & MOs

Info

ID:

316878

PubChem CID:

126631916

Reduced:

ON2H18C31 (3)

Stoich.:

AB2C18D31 (3)

Weight, g/mol:

1352.449496

ΔHf, kcal/mol:

369.12

Dipole, Da:

2.69

IP(EA), eV:

 -8.3(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzofuran-3-yl-9-[4-[2-[6-(2-dibenzofuran-3-ylcarbazol-9-yl)naphthalen-2-yl]-6-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=NC(=NC(=N5)C6=CC(=CC=C6)N7C8=CC=CC=C8C9=C7C=C(C=C9)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C=C(C=C3)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations