Geometry & MOs

Info

ID:	312077
PubChem CID:	126602431
Reduced:	NSF3O5C6H12 (1)
Stoich.:	ABC3D5E6F12 (1)
Weight, g/mol:	284.163711
ΔH_f, kcal/mol:	-363.3
Dipole, Da:	7.23
IP(EA), eV:	-10.95(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R)-3-piperazin-1-ylcyclopenten-1-yl]-2H-pyrrolo[1,2-a]pyrazin-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[NH3+].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations