Geometry & MOs

Info

ID:

316784

PubChem CID:

126631769

Reduced:

N4H28C43 (3)

Stoich.:

A4B28C43 (3)

Weight, g/mol:

1800.702297

ΔHf, kcal/mol:

657.83

Dipole, Da:

0.16

IP(EA), eV:

 -7.56(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2,6-bis[3-[bis(9-phenylcarbazol-3-yl)amino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=CC=CC(=C8)C9=NC(=NC(=N9)C1=CC(=CC=C1)N(C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations