Geometry & MOs

Info

ID:

442495

PubChem CID:

135252482

Reduced:

O2N9H37C65 (1)

Stoich.:

A2B9C37D65 (1)

Weight, g/mol:

977.347824

ΔHf, kcal/mol:

332.75

Dipole, Da:

3.04

IP(EA), eV:

 -8.25(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-9-[4-[11-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,10-pentaen-5-yl]phenyl]carbazol-3-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC5=C(C=C4)N(C6=C5C=NC=C6)C7=CC=C(C=C7)C8=NC9=CC1=C(N=C9O8)OC(=N1)C1=CC=C(C=C1)N1C2=C(C=C(C=C2)N2C3=CC=CC=C3C3=CC=CC=C32)C2=C1C=CN=C2

DOS

IR

Vibrations