Geometry & MOs

Info

ID:

442493

PubChem CID:

135252439

Reduced:

N2O2F3H15C20 (1)

Stoich.:

A2B2C3D15E20 (1)

Weight, g/mol:

1009.302137

ΔHf, kcal/mol:

-161.32

Dipole, Da:

3.27

IP(EA), eV:

 -9.65(-1.14)

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-dithia-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

CC1=CC(=NC=C1)C2=NC(=CC(=C2)C)C(=O)C3=CC=C(C=C3)OC(F)(F)F

DOS

IR

Vibrations