Geometry & MOs

Info

ID:	24709
PubChem CID:	612448
Reduced:	BrO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	342.04667
ΔH_f, kcal/mol:	-175.45
Dipole, Da:	1.02
IP(EA), eV:	-9.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-bromo-3-(4-methylphenyl)butanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)C)C(C(=O)OCC)Br

DOS

IR

Vibrations