Geometry & MOs

Info

ID:	253589
PubChem CID:	103119421
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	245.080041
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	2.23
IP(EA), eV:	-9.73(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyrazolo[1,5-a]pyrazine-3-carbonyl)pentane-2,4-dione

Drug info:

PubChemData

Smile

CC1(C(C(=O)C(O1)(C)C)C(=O)C2=C3C=NC=CN3N=C2)C

DOS

IR

Vibrations