Geometry & MOs

Info

ID:

317144

PubChem CID:

126632641

Reduced:

N5H39C62 (2)

Stoich.:

A5B39C62 (2)

Weight, g/mol:

1706.612813

ΔHf, kcal/mol:

608.84

Dipole, Da:

5.21

IP(EA), eV:

 -7.86(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC(=NC(=N1)N1C3=C(C=C(C=C3)N(C3=CC=CC=C3)C3=CC=CC=C3)C3=CC=CC=C31)N1C3=C(C=C(C=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=CC(=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations