Geometry & MOs

Info

ID:

329010

PubChem CID:

126730453

Reduced:

N2H21C28 (2)

Stoich.:

A2B21C28 (2)

Weight, g/mol:

770.340947

ΔHf, kcal/mol:

220.71

Dipole, Da:

3.03

IP(EA), eV:

 -7.96(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=NC(=C2)C3=CC=C(C=C3)C4=C(C=C(C=C4C)N5C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C15)C)C1=CC=CC=C1C

DOS

IR

Vibrations