Geometry & MOs

Info

ID:

442514

PubChem CID:

135252597

Reduced:

N5H45C64 (1)

Stoich.:

A5B45C64 (1)

Weight, g/mol:

1085.420595

ΔHf, kcal/mol:

312.34

Dipole, Da:

2.06

IP(EA), eV:

 -8.02(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[3,5-bis(phenanthro[9,10-d]imidazol-3-yl)phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)N4C5=C(C=C(C=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C9=C4C=CC(=C9)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations