Geometry & MOs

Info

ID:

439653

PubChem CID:

135229440

Reduced:

NO2H43C70 (1)

Stoich.:

AB2C43D70 (1)

Weight, g/mol:

956.365431

ΔHf, kcal/mol:

238.39

Dipole, Da:

0.81

IP(EA), eV:

 -7.94(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2'-[3-dibenzofuran-2-yl-3-(9,9-diphenylfluoren-3-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=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C1=CC=CC=C1

DOS

IR

Vibrations