Geometry & MOs

Info

ID:

428793

PubChem CID:

135168172

Reduced:

NH20C33 (2)

Stoich.:

AB20C33 (2)

Weight, g/mol:

976.345364

ΔHf, kcal/mol:

300.4

Dipole, Da:

0.94

IP(EA), eV:

 -8.07(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N(C3=CC=CC4=C3C5=CC=CC=C5C46C7=CC=CC=C7C8=CC=CC=C68)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations