Geometry & MOs

Info

ID:	282614
PubChem CID:	103932885
Reduced:	ClN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-116.82
Dipole, Da:	5.35
IP(EA), eV:	-9.68(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-methoxy-2-methylpropanoyl)piperidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(N=CC=C2)Cl)CCC(=O)O

DOS

IR

Vibrations