Geometry & MOs

Info

ID:	259496
PubChem CID:	103166959
Reduced:	BrNO2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	229.123342
ΔH_f, kcal/mol:	-100.45
Dipole, Da:	2.83
IP(EA), eV:	-9.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylpiperidin-1-yl)-2-cyclobutylethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)CBr)C(=O)CC2CCC2

DOS

IR

Vibrations