Geometry & MOs

Info

ID:	316050
PubChem CID:	126629808
Reduced:	NO3H31C49 (1)
Stoich.:	AB3C31D49 (1)
Weight, g/mol:	547.141973
ΔH_f, kcal/mol:	125.8
Dipole, Da:	1.44
IP(EA), eV:	-8.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-dibenzofuran-3-yl-N-dibenzo-p-dioxin-2-yldibenzo-p-dioxin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC6=C(C=C5)C7=CC=CC=C7O6)C8=CC9=C(C=C8)OC1=CC=CC=C1O9)C1=CC=CC=C1

DOS

IR

Vibrations