Geometry & MOs

Info

ID:

428939

PubChem CID:

135168465

Reduced:

N2H48C71 (1)

Stoich.:

A2B48C71 (1)

Weight, g/mol:

976.345364

ΔHf, kcal/mol:

292.35

Dipole, Da:

1.05

IP(EA), eV:

 -7.73(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-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]-3'-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC5=C4C6=CC=CC=C6C5(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC1=C2C(=C9)C3(C4=CC=CC=C4C4=CC=CC=C43)C3=CC=CC=C3N2C2=CC=CC=C21)C

DOS

IR

Vibrations