Geometry & MOs

Info

ID:	10140
PubChem CID:	98102
Reduced:	BrO2C6H9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	191.97859
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	2.2
IP(EA), eV:	-10.81(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-bromobut-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C=CCBr

DOS

IR

Vibrations