Geometry & MOs

Info

ID:	172088
PubChem CID:	75464480
Reduced:	O6C23H24 (1)
Stoich.:	A6B23C24 (1)
Weight, g/mol:	304.109293
ΔH_f, kcal/mol:	-177.91
Dipole, Da:	3.65
IP(EA), eV:	-8.3(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-4-(4-methylsulfonylpiperazine-1-carbonyl)oxolan-2-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)/C=C/2\C(=O)C3=C(O2)C=CC(=C3)C(=O)OC)OCC

DOS

IR

Vibrations