Geometry & MOs

Info

ID:

428800

PubChem CID:

135168179

Reduced:

N3H51C80 (1)

Stoich.:

A3B51C80 (1)

Weight, g/mol:

886.334799

ΔHf, kcal/mol:

368.29

Dipole, Da:

1.24

IP(EA), eV:

 -8.06(-0.55)

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]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3C=CC=CC3N2C4=CC=CC(=C4)C5=CC=C(C=C5)N(C6=CC=CC7=C6C8=CC=CC=C8C79C1=CC=CC=C1C1=CC=CC=C91)C1=CC=CC2=C1C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations