Geometry & MOs

Info

ID:

428400

PubChem CID:

135167246

Reduced:

N2H38C59 (1)

Stoich.:

A2B38C59 (1)

Weight, g/mol:

876.350449

ΔHf, kcal/mol:

263.71

Dipole, Da:

0.86

IP(EA), eV:

 -7.75(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-phenylphenyl)phenyl]-N-[4-(4-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=C(C=C2)C3=CC=CC=C3N(C4=CC5=C(C=C4)N6C7=CC=CC=C7C8=C6C(=CC=C8)C59C1=CC=CC=C1C1=CC=CC=C91)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations