Geometry & MOs

Info

ID:	229822
PubChem CID:	87569239
Reduced:	BrClNO4H17C19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	178.047738
ΔH_f, kcal/mol:	-57.86
Dipole, Da:	2.01
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyperoxy-2-oxoacetic acid

Drug info:

PubChemData

Smile

CCO/N=C(/C1=CC=CC=C1COC2=CC=C(C=C2)/C=C(/Cl)\Br)\C(=O)O

DOS

IR

Vibrations