Geometry & MOs

Info

ID:

316268

PubChem CID:

126630524

Reduced:

N11H103C166 (1)

Stoich.:

A11B103C166 (1)

Weight, g/mol:

2251.838396

ΔHf, kcal/mol:

782.2

Dipole, Da:

3.13

IP(EA), eV:

 -7.99(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-[4,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC=CC(=C7)C8=CC(=NC(=N8)C9=CC(=CC=C9)N1C3=C(C=CC(=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=C(C=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC(=CC=C1)N1C3=C(C=CC(=C3)C3=CC4=C(C=C3)N(C3=CC=CC=C34)C3=CC=CC=C3)C3=C1C=C(C=C3)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C=C(C=C6)C1=CC3=C(C=C1)N(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC=CC=C12

DOS

IR

Vibrations