Geometry & MOs

Info

ID:

328980

PubChem CID:

126729936

Reduced:

N5H51C73 (1)

Stoich.:

A5B51C73 (1)

Weight, g/mol:

997.414447

ΔHf, kcal/mol:

311.39

Dipole, Da:

3.86

IP(EA), eV:

 -7.82(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=CC=CC=C32)C4=CC5=C(C=C4)N(C6=C5C=C(C=C6)N7C8=C(C=C(C=C8)C)C9=CC=CC=C97)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC(=C(C=C1)C1=NC(=NC(=C1)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations