Geometry & MOs

Info

ID:	50153
PubChem CID:	12012661
Reduced:	NO4H17C24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	398.090272
ΔH_f, kcal/mol:	-6.26
Dipole, Da:	2.78
IP(EA), eV:	-8.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC3(C2C4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O

DOS

IR

Vibrations