Geometry & MOs

Info

ID:

428153

PubChem CID:

135166279

Reduced:

N2H36C55 (1)

Stoich.:

A2B36C55 (1)

Weight, g/mol:

824.319149

ΔHf, kcal/mol:

247.37

Dipole, Da:

1.35

IP(EA), eV:

 -8.02(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenanthren-2-yl-N-[2-(3-phenylphenyl)phenyl]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=C2)C3=CC=CC=C3N(C4=CC=CC=C4)C5=CC=CC6=C5C7=CC=CC=C7C68C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2

DOS

IR

Vibrations