Geometry & MOs

Info

ID:

317174

PubChem CID:

126632733

Reduced:

N3H28C40 (2)

Stoich.:

A3B28C40 (2)

Weight, g/mol:

1041.361366

ΔHf, kcal/mol:

351.07

Dipole, Da:

1.75

IP(EA), eV:

 -8.05(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)-6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-1,3,5-triazin-2-yl]-N,9-diphenylcarbazol-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6N5C7=CC8=C(C=C7)N=C(N=C8N9C1=C(C2=CC=CC=C29)C2=C(C=C1)C1=CC=CC=C1C2(C)C)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C

DOS

IR

Vibrations