Geometry & MOs

Info

ID:

439823

PubChem CID:

135229666

Reduced:

NO2H39C63 (1)

Stoich.:

AB2C39D63 (1)

Weight, g/mol:

843.31373

ΔHf, kcal/mol:

202.84

Dipole, Da:

1.25

IP(EA), eV:

 -8.06(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-N-[(1Z,3E)-1-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]-3'-ylhexa-1,3,5-trien-3-yl]dibenzofuran-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6(C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=CC=CC=C15)C1=CC2=C(C=C1)C1=CC=CC=C1O2

DOS

IR

Vibrations