Geometry & MOs

Info

ID:

316977

PubChem CID:

126632188

Reduced:

S3N5H47C82 (1)

Stoich.:

A3B5C47D82 (1)

Weight, g/mol:

1278.543002

ΔHf, kcal/mol:

398.4

Dipole, Da:

2.56

IP(EA), eV:

 -8.37(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9,9-dimethylfluoren-3-yl)-9-[4-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[4-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]naphthalen-1-yl]pyrimidin-2-yl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CC(=NC(=N5)N6C7=CC=CC=C7C8=C6C=C(C=C8)C9=CC1=C(C=C9)SC2=CC=CC=C21)N1C2=CC=CC=C2C2=C1C=C(C=C2)C1=CC2=C(C=C1)SC1=CC=CC=C12)C=C(C=C3)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations