Geometry & MOs

Info

ID:

428430

PubChem CID:

135167300

Reduced:

N2H40C61 (1)

Stoich.:

A2B40C61 (1)

Weight, g/mol:

962.366099

ΔHf, kcal/mol:

268.57

Dipole, Da:

0.43

IP(EA), eV:

 -7.62(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-5-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC7=C(C=C6)N8C9=CC=CC=C9C1(C2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC7=C18

DOS

IR

Vibrations