Geometry & MOs

Info

ID:

316782

PubChem CID:

126631766

Reduced:

N11H85C130 (1)

Stoich.:

A11B85C130 (1)

Weight, g/mol:

2029.791446

ΔHf, kcal/mol:

642.94

Dipole, Da:

1.6

IP(EA), eV:

 -7.62(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC(=C9)C1=CC(=NC(=N1)C1=CC(=CC=C1)N(C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC2=C1C1=CC=CC=C1N2C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC2=C1C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations