Geometry & MOs

Info

ID:	19818
PubChem CID:	573395
Reduced:	BrCl2O2C5H7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	247.90065
ΔH_f, kcal/mol:	-104.2
Dipole, Da:	2.56
IP(EA), eV:	-10.92(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-2,3-dichlorobutanoate

Drug info:

PubChemData

Smile

CC(C(C(=O)OC)(Cl)Br)Cl

DOS

IR

Vibrations