Geometry & MOs

Info

ID:

439633

PubChem CID:

135229419

Reduced:

NO2H43C70 (1)

Stoich.:

AB2C43D70 (1)

Weight, g/mol:

956.365431

ΔHf, kcal/mol:

245.24

Dipole, Da:

1.32

IP(EA), eV:

 -8.19(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4'-[1-dibenzofuran-2-yl-3-(9,9-diphenylfluoren-4-yl)propyl]spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=C6C7=CC=CC=C7OC6=CC=C5)C8=CC=CC9=C8C1=CC=CC=C1C91C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations