Geometry & MOs

Info

ID:

329008

PubChem CID:

126730364

Reduced:

N2H23C31 (2)

Stoich.:

A2B23C31 (2)

Weight, g/mol:

846.372247

ΔHf, kcal/mol:

242.49

Dipole, Da:

1.56

IP(EA), eV:

 -7.97(-0.78)

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]-3-carbazol-9-ylcarbazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC(=NC(=N2)C3=CC=CC(=C3)C)C4=CC(=C(C(=C4)C)C5=CC=C(C=C5)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N9C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC=C17)C

DOS

IR

Vibrations