Geometry & MOs

Info

ID:

428470

PubChem CID:

135167415

Reduced:

N2H40C61 (1)

Stoich.:

A2B40C61 (1)

Weight, g/mol:

850.334799

ΔHf, kcal/mol:

271.52

Dipole, Da:

0.95

IP(EA), eV:

 -8.0(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-naphthalen-1-ylphenyl)-N-[2-(4-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]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC5=C(C=C4)C6(C7=CC=CC=C75)C8=CC=CC=C8N9C1=CC=CC=C1C1=C9C6=CC=C1)C1=CC=CC=C1C1=CC=CC=C1

DOS

IR

Vibrations