Geometry & MOs

Info

ID:

439626

PubChem CID:

135229412

Reduced:

NO2H43C66 (1)

Stoich.:

AB2C43D66 (1)

Weight, g/mol:

897.36068

ΔHf, kcal/mol:

195.52

Dipole, Da:

2.84

IP(EA), eV:

 -8.21(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-ylphenyl)-N-[(1E)-1-(2,3,3-trimethylinden-1-yl)buta-1,3-dienyl]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'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=CC9=C(C=C8)C1(C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C19)C

DOS

IR

Vibrations