Geometry & MOs

Info

ID:	258288
PubChem CID:	103152599
Reduced:	OF3N5C11H18 (1)
Stoich.:	AB3C5D11E18 (1)
Weight, g/mol:	241.106256
ΔH_f, kcal/mol:	-151.46
Dipole, Da:	6.06
IP(EA), eV:	-9.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(2-methylpyrazole-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CCN1CCN2C(=NN=C2C(F)(F)F)C1)CN

DOS

IR

Vibrations