Geometry & MOs

Info

ID:

436850

PubChem CID:

135212264

Reduced:

ON3H23C39 (1)

Stoich.:

AB3C23D39 (1)

Weight, g/mol:

756.288912

ΔHf, kcal/mol:

183.52

Dipole, Da:

6.01

IP(EA), eV:

 -8.09(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]dibenzofuran-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N4C2=NC5=C4N(C6=CC=CC=C65)C7=CC=C(C=C7)C8=CC=CC9=C8OC1=CC=CC=C91

DOS

IR

Vibrations