Geometry & MOs

Info

ID:

428959

PubChem CID:

135168544

Reduced:

NH21C33 (2)

Stoich.:

AB21C33 (2)

Weight, g/mol:

978.361014

ΔHf, kcal/mol:

296.64

Dipole, Da:

2.16

IP(EA), eV:

 -7.92(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC6=C(C=C5)C7(C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC2=C1N6C1=CC=CC=C21)C1=CC=CC2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations