Geometry & MOs

Info

ID:	253227
PubChem CID:	103116933
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	248.09094
ΔH_f, kcal/mol:	-83.53
Dipole, Da:	8.53
IP(EA), eV:	-9.26(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations