Geometry & MOs

Info

ID:	248695
PubChem CID:	103083699
Reduced:	BrO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	356.02594
ΔH_f, kcal/mol:	-125.74
Dipole, Da:	1.1
IP(EA), eV:	-9.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(4-bromo-2-methylbenzoyl)propanedioate

Drug info:

PubChemData

Smile

CCCCC(C(=O)C1=C(C=C(C=C1)Br)C)C(=O)OC

DOS

IR

Vibrations