Geometry & MOs

Info

ID:

428437

PubChem CID:

135167336

Reduced:

N2H44C67 (1)

Stoich.:

A2B44C67 (1)

Weight, g/mol:

800.319149

ΔHf, kcal/mol:

296.98

Dipole, Da:

2.26

IP(EA), eV:

 -8.09(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-10-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=CC=C4C5=CC=CC=C5C6=CC=CC=C6)C7=CC8=C9C(=C7)C1(C2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC=C1N9C1=CC=CC=C18

DOS

IR

Vibrations