Geometry & MOs

Info

ID:	23771
PubChem CID:	606053
Reduced:	BrOC3H4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	271.88706
ΔH_f, kcal/mol:	-81.63
Dipole, Da:	1.68
IP(EA), eV:	-10.7(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-bromo-3-(bromomethyl)but-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C=C(CBr)CBr

DOS

IR

Vibrations