Geometry & MOs

Info

ID:

317177

PubChem CID:

126632742

Reduced:

N7H67C100 (1)

Stoich.:

A7B67C100 (1)

Weight, g/mol:

1356.474271

ΔHf, kcal/mol:

435.63

Dipole, Da:

3.41

IP(EA), eV:

 -8.03(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[6-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(2-dibenzothiophen-3-ylcarbazol-9-yl)pyrimidin-4-yl]-12,12-dimethylindeno[1,2-c]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=NC(=CC(=N7)N8C9=C(C=CC(=C9)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C1=C8C=C(C=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)N1C2=C(C3=CC=CC=C31)C1=C(C=C2)C2=CC=CC=C2C1(C)C)C

DOS

IR

Vibrations