Geometry & MOs

Info

ID:

428365

PubChem CID:

135167135

Reduced:

N2H52C79 (1)

Stoich.:

A2B52C79 (1)

Weight, g/mol:

900.350449

ΔHf, kcal/mol:

477.01

Dipole, Da:

1.98

IP(EA), eV:

 -7.67(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-naphthalen-1-yl-N-[2-(3-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=C(C=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=C(C=CC=C1C1=CC=CC(=C1)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations