Geometry & MOs

Info

ID:

297668

PubChem CID:

117625191

Reduced:

OSN2H28C46 (1)

Stoich.:

ABC2D28E46 (1)

Weight, g/mol:

872.340279

ΔHf, kcal/mol:

194.58

Dipole, Da:

3.01

IP(EA), eV:

 -8.46(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[3-[2,8-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=CC=C2)C3=CC=CC4=C3SC5=CC=CC=C45)C6=CC=CC=C6C7=CC(=CC=C7)C8=NC=NC9=C8OC1=CC=CC=C19

DOS

IR

Vibrations