Geometry & MOs

Info

ID:	51832
PubChem CID:	12014584
Reduced:	NO3H8C12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	398.090272
ΔH_f, kcal/mol:	-11.05
Dipole, Da:	9.0
IP(EA), eV:	-9.22(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-nitrophenyl)-3-phenylspiro[4H-1,2-oxazole-5,2'-indene]-1',3'-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(=NOC23C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations