Geometry & MOs

Info

ID:

428896

PubChem CID:

135168411

Reduced:

NH20C33 (2)

Stoich.:

AB20C33 (2)

Weight, g/mol:

976.345364

ΔHf, kcal/mol:

301.82

Dipole, Da:

0.83

IP(EA), eV:

 -7.8(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-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(19),15,17-nonaene-13,9'-fluorene]-16-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N(C3=CC4=C(C=C3)N5C6=CC=CC=C6C7=C5C(=CC=C7)C48C9=CC=CC=C9C1=CC=CC=C81)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations