Geometry & MOs

Info

ID:	360898
PubChem CID:	127301595
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	19.67
Dipole, Da:	2.87
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)C3=C(C=CS3)C4CC4

DOS

IR

Vibrations