Geometry & MOs

Info

ID:	261964
PubChem CID:	103262457
Reduced:	N3O4C11H17 (1)
Stoich.:	A3B4C11D17 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-140.51
Dipole, Da:	5.63
IP(EA), eV:	-9.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(O1)C(=O)OC)NCCNC(=O)N

DOS

IR

Vibrations