Geometry & MOs

Info

ID:

316719

PubChem CID:

126631638

Reduced:

N3H25C37 (3)

Stoich.:

A3B25C37 (3)

Weight, g/mol:

1306.523998

ΔHf, kcal/mol:

543.72

Dipole, Da:

1.84

IP(EA), eV:

 -7.99(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

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=NC(=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