Geometry & MOs

Info

ID:	51831
PubChem CID:	12014583
Reduced:	NO5H19C25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	428.100836
ΔH_f, kcal/mol:	-47.51
Dipole, Da:	4.01
IP(EA), eV:	-8.65(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-3-(4-nitrophenyl)spiro[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)OC

DOS

IR

Vibrations