Geometry & MOs

Info

ID:

316731

PubChem CID:

126631662

Reduced:

N3H25C37 (3)

Stoich.:

A3B25C37 (3)

Weight, g/mol:

1534.617898

ΔHf, kcal/mol:

543.8

Dipole, Da:

3.23

IP(EA), eV:

 -8.01(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[4,6-bis[4-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]phenyl]-N-phenyl-4-(9-phenylcarbazol-2-yl)aniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(=C7)C8=NC(=NC(=N8)C9=CC(=CC=C9)N(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations