Geometry & MOs

Info

ID:

428792

PubChem CID:

135168171

Reduced:

NH23C36 (2)

Stoich.:

AB23C36 (2)

Weight, g/mol:

860.319149

ΔHf, kcal/mol:

323.73

Dipole, Da:

1.16

IP(EA), eV:

 -8.04(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-naphthalen-2-yl-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=C(C=C1)C2=CC=CC=C2N(C3=CC4=C(C=C3)C5=C(C4(C6=CC=CC=C6)C7=CC=CC=C7)C=CC8=CC=CC=C85)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations