Geometry & MOs

Info

ID:	383774
PubChem CID:	134975694
Reduced:	BrNO4C11H20 (1)
Stoich.:	ABC4D11E20 (1)
Weight, g/mol:	220.073559
ΔH_f, kcal/mol:	-211.08
Dipole, Da:	2.62
IP(EA), eV:	-10.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dioxo-6-phenylhexanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@@H](C(C)C)NC(=O)OCC)Br

DOS

IR

Vibrations