Geometry & MOs

Info

ID:

316740

PubChem CID:

126631689

Reduced:

N8H64C91 (1)

Stoich.:

A8B64C91 (1)

Weight, g/mol:

1269.520643

ΔHf, kcal/mol:

432.05

Dipole, Da:

4.18

IP(EA), eV:

 -7.66(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[9,9-dimethyl-7-(N-(9-phenylcarbazol-3-yl)anilino)fluoren-2-yl]-2-N,4-N-diphenyl-2-N,4-N-bis(9-phenylcarbazol-3-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC(=NC(=N3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)N(C9=CC=CC=C9)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)C2=C1C=C(C=C2)N(C1=CC=CC=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C

DOS

IR

Vibrations