Geometry & MOs

Info

ID:	337781
PubChem CID:	127258404
Reduced:	BrO4C6H9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	209.95277
ΔH_f, kcal/mol:	-168.15
Dipole, Da:	1.48
IP(EA), eV:	-10.87(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-bromo 1-O-methyl butanedioate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)OBr

DOS

IR

Vibrations