Geometry & MOs

Info

ID:

316729

PubChem CID:

126631657

Reduced:

N4H33C49 (2)

Stoich.:

A4B33C49 (2)

Weight, g/mol:

1306.523998

ΔHf, kcal/mol:

476.12

Dipole, Da:

4.97

IP(EA), eV:

 -7.86(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC=CC=C5)C6=CC=CC(=C6)C7=CC8=C(C=C7)N=C(N=C8C9=CC(=CC=C9)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C1=CC(=CC=C1)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1

DOS

IR

Vibrations