Geometry & MOs

Info

ID:	372454
PubChem CID:	131297918
Reduced:	BrNOH6C7 (1)
Stoich.:	ABCD6E7 (1)
Weight, g/mol:	230.017501
ΔH_f, kcal/mol:	16.73
Dipole, Da:	3.42
IP(EA), eV:	-9.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxycarbonyl-4-nitro-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C#N)C1=CC(=CO1)Br

DOS

IR

Vibrations