Geometry & MOs

Info

ID:	253246
PubChem CID:	103117056
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	227.090606
ΔH_f, kcal/mol:	-84.66
Dipole, Da:	6.92
IP(EA), eV:	-8.98(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations