Geometry & MOs

Info

ID:	349755
PubChem CID:	127275917
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-52.78
Dipole, Da:	3.71
IP(EA), eV:	-9.15(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-(oxane-3-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations