Geometry & MOs

Info

ID:	45685
PubChem CID:	10516506
Reduced:	BrOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	2.1
IP(EA), eV:	-9.51(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2,4-dioxo-1-(2-phenylethyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCC/C(=C/Br)/COCC(=C)C

DOS

IR

Vibrations