Geometry & MOs

Info

ID:	306035
PubChem CID:	125000783
Reduced:	ON2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-21.67
Dipole, Da:	2.26
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpyrazol-3-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine

Drug info:

PubChemData

Smile

CCCN1CCN(C[C@@H](C1=O)CC2=CC=C(C=C2)C3=CC=CC(=C3)C)C(=O)C4=CN=CN4

DOS

IR

Vibrations