Geometry & MOs

Info

ID:	446752
PubChem CID:	135277434
Reduced:	NSH37C54 (1)
Stoich.:	ABC37D54 (1)
Weight, g/mol:	801.303165
ΔH_f, kcal/mol:	228.01
Dipole, Da:	1.63
IP(EA), eV:	-8.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,4-bis(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=C(C5=C(C=C4)C6=CC=CC=C6S5)C7=CC=C(C=C7)C8=CC=CC=C8)C9=CC=CC=C9C1=CC=CC=C1

DOS

IR

Vibrations