Geometry & MOs

Info

ID:

329011

PubChem CID:

126730460

Reduced:

N2H21C28 (2)

Stoich.:

A2B21C28 (2)

Weight, g/mol:

770.340947

ΔHf, kcal/mol:

221.27

Dipole, Da:

2.03

IP(EA), eV:

 -7.76(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-2,6-dimethylphenyl]phenyl]-3-carbazol-9-ylcarbazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC(=NC(=N9)C1=CC=CC=C1C)C1=CC=CC=C1C

DOS

IR

Vibrations