Geometry & MOs

Info

ID:	253861
PubChem CID:	103121160
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	5.46
IP(EA), eV:	-9.56(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate

Drug info:

PubChemData

Smile

COC(=O)C1CCCN1C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations