Geometry & MOs

Info

ID:	253180
PubChem CID:	103116570
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	248.09094
ΔH_f, kcal/mol:	-59.87
Dipole, Da:	4.16
IP(EA), eV:	-9.67(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(pyrazolo[1,5-a]pyrazine-3-carbonyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(CCN1C(=C(N=N1)C(=O)O)C2=NC=CN2C)OC

DOS

IR

Vibrations