Geometry & MOs

Info

ID:	51833
PubChem CID:	12014585
Reduced:	N2O5H14C23 (1)
Stoich.:	A2B5C14D23 (1)
Weight, g/mol:	428.100836
ΔH_f, kcal/mol:	30.47
Dipole, Da:	4.14
IP(EA), eV:	-9.47(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations