Geometry & MOs

Info

ID:

428847

PubChem CID:

135168295

Reduced:

NH21C33 (2)

Stoich.:

AB21C33 (2)

Weight, g/mol:

1042.338171

ΔHf, kcal/mol:

298.51

Dipole, Da:

1.14

IP(EA), eV:

 -8.04(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzothiophen-2-ylphenyl)-N-spiro[benzo[g]fluorene-7,9'-fluorene]-9-ylspiro[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=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC=CC6=CC=CC=C65)C7=CC=CC8=C7C9=CC=CC=C9C81C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C1=CC=CC=C1

DOS

IR

Vibrations