Geometry & MOs

Info

ID:	239953
PubChem CID:	93373800
Reduced:	OSN5C12H17 (1)
Stoich.:	ABC5D12E17 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	17.48
Dipole, Da:	3.02
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-pyrazin-2-ylpiperazin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CN=C2)C(=O)[C@@H]3CSCN3

DOS

IR

Vibrations