Geometry & MOs

Info

ID:

439974

PubChem CID:

135229845

Reduced:

NOH49C73 (1)

Stoich.:

ABC49D73 (1)

Weight, g/mol:

927.31373

ΔHf, kcal/mol:

355.59

Dipole, Da:

5.79

IP(EA), eV:

 -7.72(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzofuran-3-yl-N-(9,9'-spirobi[fluorene]-3-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]-4'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC5=C(C=C4)C6=CC=CC=C6C7=C(C8=CC=CC=C8C=C7)OCC9=C5C=CC1=CC=CC=C91)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12)C

DOS

IR

Vibrations