Geometry & MOs

Info

ID:	35752
PubChem CID:	7980283
Reduced:	BrN2O4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	327.110673
ΔH_f, kcal/mol:	-43.53
Dipole, Da:	4.72
IP(EA), eV:	-9.23(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetamidophenyl)-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC2=NN=C(O2)C3=CC=CC=C3Br

DOS

IR

Vibrations