Geometry & MOs

Info

ID:	306273
PubChem CID:	125003454
Reduced:	SO3N5C12H17 (1)
Stoich.:	AB3C5D12E17 (1)
Weight, g/mol:	334.190595
ΔH_f, kcal/mol:	-52.96
Dipole, Da:	8.62
IP(EA), eV:	-9.26(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1H-imidazol-2-yl)-5-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyrazine

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@H]2CN(CCO2)S(=O)(=O)C3=CNN=C3)C

DOS

IR

Vibrations