Geometry & MOs

Info

ID:	51834
PubChem CID:	12014587
Reduced:	NO3H8C12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	443.07535
ΔH_f, kcal/mol:	-11.03
Dipole, Da:	4.69
IP(EA), eV:	-8.95(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC3(C2C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C5C3=O

DOS

IR

Vibrations