Geometry & MOs

Info

ID:	261269
PubChem CID:	103224637
Reduced:	BrNSO3C10H14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	244.142307
ΔH_f, kcal/mol:	-88.56
Dipole, Da:	3.15
IP(EA), eV:	-9.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1=CSC(=C1)Br)C(COC)C(=O)O

DOS

IR

Vibrations