Geometry & MOs

Info

ID:	19614
PubChem CID:	568993
Reduced:	BrClNOC5H7 (1)
Stoich.:	ABCDE5F7 (1)
Weight, g/mol:	210.93995
ΔH_f, kcal/mol:	-53.67
Dipole, Da:	6.08
IP(EA), eV:	-10.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-3-chloropiperidin-2-one

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)(Cl)Br

DOS

IR

Vibrations