Geometry & MOs

Info

ID:

329001

PubChem CID:

126730180

Reduced:

N5H57C74 (1)

Stoich.:

A5B57C74 (1)

Weight, g/mol:

1015.461397

ΔHf, kcal/mol:

300.39

Dipole, Da:

2.17

IP(EA), eV:

 -7.69(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]-3,5-dimethylphenyl]phenyl]phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC(=NC(=N2)C3=CC=CC=C3C)C4=CC(=C(C(=C4)C)C5=CC=C(C=C5)C6=CC=C(C=C6)N7C8=C(C=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=C7C=CC(=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations