Geometry & MOs

Info

ID:	8379
PubChem CID:	76934
Reduced:	BrO2C4H7 (1)
Stoich.:	AB2C4D7 (1)
Weight, g/mol:	165.96294
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	1.98
IP(EA), eV:	-10.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromopropanoate

Drug info:

PubChemData

Smile

COC(=O)CCBr

DOS

IR

Vibrations