Geometry & MOs

Info

ID:

439866

PubChem CID:

135229709

Reduced:

NO2H43C70 (1)

Stoich.:

AB2C43D70 (1)

Weight, g/mol:

927.31373

ΔHf, kcal/mol:

307.19

Dipole, Da:

1.76

IP(EA), eV:

 -7.92(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-2-yl)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]-2'-amine

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C3=C(C24C5=C(C6=CC=CC=C6C=C5)OC7=C4C=CC8=CC=CC=C87)C=CC=C3N(C9=CC1=C(C=C9)OC2=CC=CC=C21)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations