Geometry & MOs

Info

ID:

316499

PubChem CID:

126631015

Reduced:

S3N5H47C83 (1)

Stoich.:

A3B5C47D83 (1)

Weight, g/mol:

1296.496052

ΔHf, kcal/mol:

411.39

Dipole, Da:

1.81

IP(EA), eV:

 -8.22(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2,6-bis(7,7-diphenylindeno[2,1-b]carbazol-5-yl)pyrimidin-4-yl]-7,7-diphenylindeno[2,1-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C=CC(=C3)C4=CC(=NC(=N4)N5C6=CC=CC=C6C7=CC8=C(C=C75)SC9=CC=CC=C98)N1C3=CC=CC=C3C3=CC4=C(C=C31)SC1=CC=CC=C14)C1=C2C=C(C=C1)N1C2=CC=CC=C2C2=CC3=C(C=C21)SC1=CC=CC=C13)C1=CC=CC=C1

DOS

IR

Vibrations