Geometry & MOs

Info

ID:	294798
PubChem CID:	117496589
Reduced:	BrNO4H10C12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	310.97932
ΔH_f, kcal/mol:	-66.59
Dipole, Da:	2.87
IP(EA), eV:	-9.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-bromo-6-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COCC1=C(C=CC(=C1)Br)C2=NOC(=C2)C(=O)O

DOS

IR

Vibrations