Geometry & MOs

Info

ID:

317026

PubChem CID:

126632298

Reduced:

N5H75C107 (1)

Stoich.:

A5B75C107 (1)

Weight, g/mol:

1344.463038

ΔHf, kcal/mol:

415.94

Dipole, Da:

3.46

IP(EA), eV:

 -8.12(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-dibenzofuran-2-yl-9-[3-[2-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-6-[3-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=NC(=NC9=C8C=C(C=C9)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)C1=CC(=CC=C1)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)C2=CC=CC=C2C3(C)C)C2=CC=CC=C21)C

DOS

IR

Vibrations