Geometry & MOs

Info

ID:	335855
PubChem CID:	127254717
Reduced:	OSN3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	-6.2
Dipole, Da:	3.39
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)NC(=O)CCCCCN3C=CC=C3

DOS

IR

Vibrations