Geometry & MOs

Info

ID:	50157
PubChem CID:	12012665
Reduced:	NO4H19C25 (1)
Stoich.:	AB4C19D25 (1)
Weight, g/mol:	412.105922
ΔH_f, kcal/mol:	-16.26
Dipole, Da:	3.37
IP(EA), eV:	-8.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(=NOC23C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations