Geometry & MOs

Info

ID:	337965
PubChem CID:	127258588
Reduced:	BrNO4C10H16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	284.162374
ΔH_f, kcal/mol:	-184.26
Dipole, Da:	2.86
IP(EA), eV:	-9.48(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(1-carboxypropan-2-yl)cyclohexyl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OC(=O)[C@@H]1C(C(CN1C)Br)O

DOS

IR

Vibrations