Geometry & MOs

Info

ID:	11534
PubChem CID:	117321
Reduced:	NO3H23C28 (1)
Stoich.:	AB3C23D28 (1)
Weight, g/mol:	421.167794
ΔH_f, kcal/mol:	-28.73
Dipole, Da:	5.42
IP(EA), eV:	-8.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9'-(diethylamino)spiro[2-benzofuran-3,12'-benzo[a]xanthene]-1-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC6=CC=CC=C65

DOS

IR

Vibrations