Geometry & MOs

Info

ID:

428913

PubChem CID:

135168428

Reduced:

NH22C34 (2)

Stoich.:

AB22C34 (2)

Weight, g/mol:

886.334799

ΔHf, kcal/mol:

303.59

Dipole, Da:

0.86

IP(EA), eV:

 -7.66(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-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=C(C=C1)C2=CC=CC=C2N(C3=CC4=C(C=C3)C5=CC=CC=C5C4(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC9=C1C(=C8)C2(C3=CC=CC=C3C3=CC=CC=C32)C2=CC=CC=C2N1C1=CC=CC=C19

DOS

IR

Vibrations