Geometry & MOs

Info

ID:

428664

PubChem CID:

135167915

Reduced:

NH17C28 (3)

Stoich.:

AB17C28 (3)

Weight, g/mol:

860.319149

ΔHf, kcal/mol:

381.28

Dipole, Da:

1.42

IP(EA), eV:

 -7.95(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-naphthalen-1-yl-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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC=C(C=C5)N(C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)C1=CC=CC=C91)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations