Geometry & MOs

Info

ID:

311628

PubChem CID:

126595859

Reduced:

IO9C23H33 (1)

Stoich.:

AB9C23D33 (1)

Weight, g/mol:

1384.570948

ΔHf, kcal/mol:

-385.29

Dipole, Da:

4.79

IP(EA), eV:

 -10.04(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4,6-bis[4-(N-phenylanilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-[9-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]carbazol-3-yl]-N-phenylaniline

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCCC(=O)O[C@H]1CC(OC[C@H]1OC(=O)CCCCOC(=O)C(=C)C)I

DOS

IR

Vibrations