Geometry & MOs

Info

ID:	253763
PubChem CID:	103120450
Reduced:	ON8C10H10 (1)
Stoich.:	AB8C10D10 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	110.29
Dipole, Da:	5.18
IP(EA), eV:	-9.71(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC(C1=NNN=N1)NC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations