Geometry & MOs

Info

ID:

316695

PubChem CID:

126631570

Reduced:

N2H13C19 (4)

Stoich.:

A2B13C19 (4)

Weight, g/mol:

1076.431494

ΔHf, kcal/mol:

394.33

Dipole, Da:

4.97

IP(EA), eV:

 -7.78(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N,6-N-diphenyl-2-[3-(N-phenylanilino)carbazol-9-yl]-4-N-(9-phenylcarbazol-2-yl)-6-N-(9-phenylcarbazol-3-yl)pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=NC(=NC(=C5)N6C7=C(C=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C16)N(C1=CC=CC=C1)C1=CC3=C(C=C1)C1=CC=CC=C1N3C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations