Geometry & MOs

Info

ID:	231802
PubChem CID:	87574683
Reduced:	BrMgOC13H19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	351.123736
ΔH_f, kcal/mol:	-68.72
Dipole, Da:	3.57
IP(EA), eV:	-9.17(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4-(5-chloro-2-formylbenzoyl)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[C@H]([CH2-])COCC1=CC=CC=C1.[Mg+2].[Br-]

DOS

IR

Vibrations