Geometry & MOs

Info

ID:	305560
PubChem CID:	124960136
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-5.95
Dipole, Da:	7.19
IP(EA), eV:	-9.2(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=CN=C2[C@@H]3CCCN(C3)S(=O)(=O)C

DOS

IR

Vibrations