Geometry & MOs

Info

ID:	305978
PubChem CID:	124976977
Reduced:	SO2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	-17.58
Dipole, Da:	1.91
IP(EA), eV:	-9.27(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-1-methylsulfonylpiperidin-3-yl]-5-(1H-pyrazol-4-yl)pyrazine

Drug info:

PubChemData

Smile

CC(=O)N1CCN(C[C@@H]1C2=CC=CC=C2)C(=O)C3=CSC=N3

DOS

IR

Vibrations