Geometry & MOs

Info

ID:

440030

PubChem CID:

135229915

Reduced:

ClOF2N5C25H28 (1)

Stoich.:

ABC2D5E25F28 (1)

Weight, g/mol:

913.334465

ΔHf, kcal/mol:

-51.84

Dipole, Da:

3.31

IP(EA), eV:

 -8.22(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

CC1C=C(C=CC1C2=CN=C3C(=N2)N(CCN3)CC4=C(C=CC(=C4Cl)F)F)CN5CCOCC5

DOS

IR

Vibrations