Geometry & MOs

Info

ID:	306352
PubChem CID:	125003889
Reduced:	ClN2O3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	335.141596
ΔH_f, kcal/mol:	-56.03
Dipole, Da:	1.83
IP(EA), eV:	-9.3(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)N2CCC[C@@H]2C3=NC=C(O3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations