Geometry & MOs

Info

ID:	261944
PubChem CID:	103260538
Reduced:	BrN2O2C12H21 (1)
Stoich.:	AB2C2D12E21 (1)
Weight, g/mol:	292.07864
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	2.63
IP(EA), eV:	-8.32(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-[(1,2-dimethylpiperidin-4-yl)amino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CNC1CCN2CCCC2C1)Br

DOS

IR

Vibrations