Geometry & MOs

Info

ID:

317165

PubChem CID:

126632703

Reduced:

ON3H21C37 (2)

Stoich.:

AB3C21D37 (2)

Weight, g/mol:

1365.492363

ΔHf, kcal/mol:

323.2

Dipole, Da:

1.49

IP(EA), eV:

 -8.0(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[6-([1]benzofuro[2,3-b]carbazol-7-yl)-4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-2-yl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)N=C(N=C8N9C1=CC=CC=C1C1=CC3=C(C=C19)OC1=CC=CC=C13)N1C3=CC=CC=C3C3=CC4=C(C=C31)OC1=CC=CC=C14)C1=CC=CC=C12

DOS

IR

Vibrations