Geometry & MOs

Info

ID:	253816
PubChem CID:	103120843
Reduced:	O4N5C11H19 (1)
Stoich.:	A4B5C11D19 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-146.11
Dipole, Da:	4.98
IP(EA), eV:	-10.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=C(N=NN1CCN)C(=O)O

DOS

IR

Vibrations