Geometry & MOs

Info

ID:

316775

PubChem CID:

126631746

Reduced:

N7H89C131 (1)

Stoich.:

A7B89C131 (1)

Weight, g/mol:

2029.791446

ΔHf, kcal/mol:

591.2

Dipole, Da:

3.23

IP(EA), eV:

 -8.01(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=C(C=C5)C6=CC=C(C=C6)C7=CC=CC=C7)C8=CC=CC(=C8)C9=CC(=NC(=N9)C1=CC(=CC=C1)N(C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations