Geometry & MOs

Info

ID:

316333

PubChem CID:

126630680

Reduced:

N11H103C166 (1)

Stoich.:

A11B103C166 (1)

Weight, g/mol:

2174.811847

ΔHf, kcal/mol:

802.86

Dipole, Da:

1.83

IP(EA), eV:

 -8.02(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[2,6-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=CC5=C4N(C6=C5C=CC=C6C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC(=C1)C1=CC(=NC(=N1)C1=CC(=CC=C1)N1C3=C(C=C(C=C3)C3=CC=CC4=C3N(C3=C4C=CC=C3C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=CC=CC=C3)C3=CC=CC=C31)C1=CC(=CC=C1)N1C3=C(C=C(C=C3)C3=CC=CC4=C3N(C3=C4C=CC=C3C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=CC=CC=C3)C3=CC=CC=C31)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations