Geometry & MOs

Info

ID:	329938
PubChem CID:	127246925
Reduced:	SO2N4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-54.41
Dipole, Da:	5.35
IP(EA), eV:	-8.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCC1C2=CN=CC(=N2)NC

DOS

IR

Vibrations