Geometry & MOs

Info

ID:

317146

PubChem CID:

126632645

Reduced:

ON8H64C106 (1)

Stoich.:

AB8C64D106 (1)

Weight, g/mol:

1781.660097

ΔHf, kcal/mol:

491.33

Dipole, Da:

5.57

IP(EA), eV:

 -8.11(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-3-yl)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(=C1)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)OC3=CC=CC=C34)C3=CC=CC=C31)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=CC=CC=C31)C1=CC=CC=C12

DOS

IR

Vibrations