Geometry & MOs

Info

ID:

439778

PubChem CID:

135229598

Reduced:

NO2H45C66 (1)

Stoich.:

AB2C45D66 (1)

Weight, g/mol:

765.266779

ΔHf, kcal/mol:

197.41

Dipole, Da:

2.21

IP(EA), eV:

 -8.33(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzofuran-1-yl-N-(2-phenylphenyl)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

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4CC=CC5=C4C6=CC=CC=C6C57C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC2=CC=CC=C21)C1=CC=C(C=C1)C1=CC2=C(C=C1)C1=CC=CC=C1O2)C

DOS

IR

Vibrations