Geometry & MOs

Info

ID:

428171

PubChem CID:

135166315

Reduced:

NH22C32 (2)

Stoich.:

AB22C32 (2)

Weight, g/mol:

774.303499

ΔHf, kcal/mol:

260.26

Dipole, Da:

1.1

IP(EA), eV:

 -8.06(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-naphthalen-2-yl-N-[2-(4-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

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=CC=C4C5=CC=C(C=C5)C6=CC=CC=C6)C7=CC=CC8=C7C9=CC=CC=C9C81C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C

DOS

IR

Vibrations