Geometry & MOs

Info

ID:

329021

PubChem CID:

126730532

Reduced:

N4H15C28 (2)

Stoich.:

A4B15C28 (2)

Weight, g/mol:

820.356597

ΔHf, kcal/mol:

391.2

Dipole, Da:

7.39

IP(EA), eV:

 -8.28(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-dimethylphenyl]phenyl]phenyl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC(=C(C(=C7)C#N)C8=CC=C(C=C8)C9=NC(=NC(=C9)C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C#N)C#N

DOS

IR

Vibrations