Geometry & MOs

Info

ID:	5988
PubChem CID:	14229
Reduced:	BrO2C5H7 (1)
Stoich.:	AB2C5D7 (1)
Weight, g/mol:	177.96294
ΔH_f, kcal/mol:	-75.72
Dipole, Da:	2.15
IP(EA), eV:	-10.85(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromobut-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C=CCBr

DOS

IR

Vibrations