Geometry & MOs

Info

ID:	306455
PubChem CID:	125011783
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	335.141596
ΔH_f, kcal/mol:	-47.47
Dipole, Da:	5.51
IP(EA), eV:	-9.24(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylpyrazol-3-yl)-3-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@]1(CCN1C(=O)CN)CCCC2=CC=CC=N2

DOS

IR

Vibrations