Geometry & MOs

Info

ID:

428378

PubChem CID:

135167172

Reduced:

N2H50C77 (1)

Stoich.:

A2B50C77 (1)

Weight, g/mol:

926.366099

ΔHf, kcal/mol:

335.1

Dipole, Da:

0.78

IP(EA), eV:

 -8.08(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-4-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'-ylnaphthalen-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=CC=C4C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=C(C8=CC=CC=C87)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations