Geometry & MOs

Info

ID:

317186

PubChem CID:

126632795

Reduced:

ON7H59C87 (1)

Stoich.:

AB7C59D87 (1)

Weight, g/mol:

1151.431159

ΔHf, kcal/mol:

362.64

Dipole, Da:

2.6

IP(EA), eV:

 -7.98(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[7-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-N,9-diphenylcarbazol-2-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=NC(=NC(=N6)N7C8=C(C=C(C=C8)C9=CC1=C(C=C9)OC2=CC=CC=C21)C1=CC=CC=C17)C1=CC2=C(C=C1)C1=C(C2(C)C)C=C(C=C1)N(C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC=C1)C

DOS

IR

Vibrations