Geometry & MOs

Info

ID:

316688

PubChem CID:

126631557

Reduced:

N4H27C40 (2)

Stoich.:

A4B27C40 (2)

Weight, g/mol:

1078.447144

ΔHf, kcal/mol:

412.07

Dipole, Da:

4.19

IP(EA), eV:

 -7.75(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N,6-N-diphenyl-2-[2-(N-phenylanilino)carbazol-9-yl]-4-N,6-N-bis(9-phenylcarbazol-3-yl)-4,5-dihydropyrimidine-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(=NC6=C5C=C(C=C6)N7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C17)N1C3=CC=CC=C3C3=C1C=C(C=C3)N(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations