Geometry & MOs

Info

ID:

329023

PubChem CID:

126730576

Reduced:

N4H46C61 (1)

Stoich.:

A4B46C61 (1)

Weight, g/mol:

848.387898

ΔHf, kcal/mol:

251.79

Dipole, Da:

0.56

IP(EA), eV:

 -7.77(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-[2,6-bis(3-methylphenyl)pyrimidin-4-yl]phenyl]-2,5-dimethylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=NC(=C2)C3=CC=C(C=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=CC=CC=C16)C)C1=CC=CC=C1C

DOS

IR

Vibrations