Geometry & MOs

Info

ID:	253265
PubChem CID:	103117281
Reduced:	SN4O4C14H24 (1)
Stoich.:	AB4C4D14E24 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-161.9
Dipole, Da:	8.44
IP(EA), eV:	-8.86(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

Drug info:

PubChemData

Smile

CCSCCN1C(=C(N=N1)C(=O)O)CCNC(=O)OC(C)(C)C

DOS

IR

Vibrations