Geometry & MOs

Info

ID:

428965

PubChem CID:

135168550

Reduced:

NH21C34 (2)

Stoich.:

AB21C34 (2)

Weight, g/mol:

886.334799

ΔHf, kcal/mol:

304.99

Dipole, Da:

1.51

IP(EA), eV:

 -7.78(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)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

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC4=C(C=C3)N5C6=CC=CC=C6C7(C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC4=C15)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations