Geometry & MOs

Info

ID:	258295
PubChem CID:	103152731
Reduced:	OSN3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	241.106256
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	1.89
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(2-pyrazol-1-ylacetyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)C(C)NCCC(CN)OC

DOS

IR

Vibrations