Geometry & MOs

Info

ID:

317158

PubChem CID:

126632681

Reduced:

O3N6H38C69 (1)

Stoich.:

A3B6C38D69 (1)

Weight, g/mol:

1467.550547

ΔHf, kcal/mol:

281.11

Dipole, Da:

1.47

IP(EA), eV:

 -8.6(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC4=C(C=C3N2C5=NC(=NC(=N5)N6C7=C(C=C(C=C7)C8=CC9=C(C=C8)OC1=CC=CC=C19)C1=CC=CC=C16)N1C2=C(C=C(C=C2)C2=CC3=C(C=C2)OC2=CC=CC=C23)C2=CC=CC=C21)OC1=CC=CC=C14

DOS

IR

Vibrations