Geometry & MOs

Info

ID:	305635
PubChem CID:	124963372
Reduced:	SO2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	338.210661
ΔH_f, kcal/mol:	-5.78
Dipole, Da:	6.14
IP(EA), eV:	-9.45(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC[C@@H](C1)CC2=NC=CN=C2C3=CNN=C3

DOS

IR

Vibrations