Geometry & MOs

Info

ID:	361626
PubChem CID:	127303916
Reduced:	O3N4C17H28 (1)
Stoich.:	A3B4C17D28 (1)
Weight, g/mol:	331.16444
ΔH_f, kcal/mol:	-90.15
Dipole, Da:	4.28
IP(EA), eV:	-8.94(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[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)CCC3CCCCO3

DOS

IR

Vibrations