Geometry & MOs

Info

ID:

328996

PubChem CID:

126730097

Reduced:

N7H39C66 (1)

Stoich.:

A7B39C66 (1)

Weight, g/mol:

1001.445747

ΔHf, kcal/mol:

386.34

Dipole, Da:

1.59

IP(EA), eV:

 -8.09(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2-methylphenyl]-6-N,6-N-bis(4-methylphenyl)-3-N,3-N-diphenylcarbazole-3,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4C#N)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N8C9=CC=CC=C9C1=CC=CC=C18)C1=C6C=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)C#N

DOS

IR

Vibrations