Geometry & MOs

Info

ID:	213933
PubChem CID:	81065564
Reduced:	NO2C4H5 (3)
Stoich.:	AB2C4D5 (3)
Weight, g/mol:	278.130028
ΔH_f, kcal/mol:	-98.73
Dipole, Da:	7.65
IP(EA), eV:	-10.01(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations