Geometry & MOs

Info

ID:	23334
PubChem CID:	603128
Reduced:	BrO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	269.98916
ΔH_f, kcal/mol:	-100.32
Dipole, Da:	2.38
IP(EA), eV:	-10.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-oxoethyl] propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations