Geometry & MOs

Info

ID:

329003

PubChem CID:

126730195

Reduced:

N5H45C64 (1)

Stoich.:

A5B45C64 (1)

Weight, g/mol:

939.430097

ΔHf, kcal/mol:

313.1

Dipole, Da:

1.91

IP(EA), eV:

 -7.64(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]-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=CC=C(C=C4)C5=CC=C(C=C5)N6C7=C(C=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C1=C6C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations