Geometry & MOs

Info

ID:

315558

PubChem CID:

126627641

Reduced:

N4H36C51 (1)

Stoich.:

A4B36C51 (1)

Weight, g/mol:

822.347095

ΔHf, kcal/mol:

247.41

Dipole, Da:

4.33

IP(EA), eV:

 -8.31(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[2,6-bis(3-carbazol-9-ylphenyl)-3-methyl-2,6-dihydro-1H-1,3,5-triazin-4-yl]phenyl]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3N=C(NC(=N3)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=CC=CC=C75)C8=CC=C(C=C8)C9=CC=CC(=C9)C1=CC=CC=C1

DOS

IR

Vibrations