Geometry & MOs

Info

ID:

316692

PubChem CID:

126631565

Reduced:

N2H13C19 (4)

Stoich.:

A2B13C19 (4)

Weight, g/mol:

1076.431494

ΔHf, kcal/mol:

393.84

Dipole, Da:

5.53

IP(EA), eV:

 -8.08(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC(=NC(=N5)N(C6=CC=CC=C6)C7=CC8=C(C=C7)C9=CC=CC=C9N8C1=CC=CC=C1)N(C1=CC=CC=C1)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations