Geometry & MOs

Info

ID:

329004

PubChem CID:

126730237

Reduced:

N5H53C68 (1)

Stoich.:

A5B53C68 (1)

Weight, g/mol:

863.398797

ΔHf, kcal/mol:

276.68

Dipole, Da:

2.06

IP(EA), eV:

 -7.51(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C1=CC(=NC(=N1)C1=CC=CC=C1C)C1=CC=CC=C1C

DOS

IR

Vibrations