Geometry & MOs

Info

ID:

428398

PubChem CID:

135167221

Reduced:

N2H36C55 (1)

Stoich.:

A2B36C55 (1)

Weight, g/mol:

850.334799

ΔHf, kcal/mol:

250.0

Dipole, Da:

1.13

IP(EA), eV:

 -8.09(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=CC=C2C3=CC=CC=C3N(C4=CC=CC=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C(=CC=C9)C61C2=CC=CC=C2C2=CC=CC=C12

DOS

IR

Vibrations