Geometry & MOs

Info

ID:

316717

PubChem CID:

126631635

Reduced:

N2H19C28 (4)

Stoich.:

A2B19C28 (4)

Weight, g/mol:

1583.638299

ΔHf, kcal/mol:

531.83

Dipole, Da:

2.79

IP(EA), eV:

 -7.96(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9-[3-[2,4-bis[3-[3-[4-(N-phenylanilino)phenyl]carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]carbazol-3-yl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=CC(=NC(=N8)C9=CC=C(C=C9)N1C2=C(C=C(C=C2)C2=CC=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)C2=CC=C(C=C2)N(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C21

DOS

IR

Vibrations