Geometry & MOs

Info

ID:	258380
PubChem CID:	103153352
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	241.106256
ΔH_f, kcal/mol:	-197.0
Dipole, Da:	6.73
IP(EA), eV:	-10.49(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC=CC(=C1)C(=O)N

DOS

IR

Vibrations