Geometry & MOs

Info

ID:	427422
PubChem CID:	135158819
Reduced:	ON2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	221.080041
ΔH_f, kcal/mol:	28.42
Dipole, Da:	4.08
IP(EA), eV:	-7.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=C(O1)C=C(C=C2)/C=C/C(=O)N3C=C(C=CC3=C)N4CCNCC4

DOS

IR

Vibrations