Geometry & MOs

Info

ID:

428427

PubChem CID:

135167297

Reduced:

NH22C32 (2)

Stoich.:

AB22C32 (2)

Weight, g/mol:

724.287849

ΔHf, kcal/mol:

257.96

Dipole, Da:

1.58

IP(EA), eV:

 -7.86(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-[2-(4-phenylphenyl)phenyl]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

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)N6C7=CC=CC=C7C8(C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC5=C16)C1=CC=CC=C1C1=CC=C(C=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations