Geometry & MOs

Info

ID:

316730

PubChem CID:

126631661

Reduced:

N3H21C31 (3)

Stoich.:

A3B21C31 (3)

Weight, g/mol:

1534.617898

ΔHf, kcal/mol:

475.93

Dipole, Da:

1.05

IP(EA), eV:

 -7.92(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC(=CC=C8)N(C9=CC=CC=C9)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations