Geometry & MOs

Info

ID:

428930

PubChem CID:

135168446

Reduced:

NH22C36 (2)

Stoich.:

AB22C36 (2)

Weight, g/mol:

886.334799

ΔHf, kcal/mol:

323.75

Dipole, Da:

1.31

IP(EA), eV:

 -7.8(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-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]-10-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)N(C4=CC=CC5=C4C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C1=CC2=C3C(=C1)C1(C4=CC=CC=C4C4=CC=CC=C41)C1=CC=CC=C1N3C1=CC=CC=C12

DOS

IR

Vibrations