Geometry & MOs

Info

ID:	253280
PubChem CID:	103117342
Reduced:	ON4C10H16 (1)
Stoich.:	AB4C10D16 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	-10.24
Dipole, Da:	6.23
IP(EA), eV:	-8.88(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]pyrazolo[1,5-a]pyrazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2CCCNC2

DOS

IR

Vibrations