Geometry & MOs

Info

ID:	302855
PubChem CID:	124397575
Reduced:	O7C10H16 (1)
Stoich.:	A7B10C16 (1)
Weight, g/mol:	218.98949
ΔH_f, kcal/mol:	-326.85
Dipole, Da:	4.13
IP(EA), eV:	-10.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-acetyl-3-bromopiperidin-4-one

Drug info:

PubChemData

Smile

CCCCOC(=O)C[C@](CC(=O)O)(C(=O)O)O

DOS

IR

Vibrations