Geometry & MOs

Info

ID:	294797
PubChem CID:	117496586
Reduced:	BrNO4H10C12 (1)
Stoich.:	ABC4D10E12 (1)
Weight, g/mol:	310.97932
ΔH_f, kcal/mol:	-67.31
Dipole, Da:	5.71
IP(EA), eV:	-10.04(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-bromo-2-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations