Geometry & MOs

Info

ID:

316479

PubChem CID:

126630986

Reduced:

ON2H14C25 (3)

Stoich.:

AB2C14D25 (3)

Weight, g/mol:

999.430097

ΔHf, kcal/mol:

303.1

Dipole, Da:

1.78

IP(EA), eV:

 -8.25(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[2,6-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]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=C1C2=CC=CC=C2OC1=C9)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C=C1C4=CC=CC=C4OC1=C2)C=C1C2=CC=CC=C2OC1=C3

DOS

IR

Vibrations