Geometry & MOs

Info

ID:

428438

PubChem CID:

135167337

Reduced:

N2H40C61 (1)

Stoich.:

A2B40C61 (1)

Weight, g/mol:

800.319149

ΔHf, kcal/mol:

271.94

Dipole, Da:

1.15

IP(EA), eV:

 -7.77(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-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=CC=C2C3=CC=CC=C3N(C4=CC=CC=C4C5=CC=CC=C5)C6=CC7=C8C(=C6)C9(C1=CC=CC=C1C1=CC=CC=C19)C1=CC=CC=C1N8C1=CC=CC=C17

DOS

IR

Vibrations