Geometry & MOs

Info

ID:	431945
PubChem CID:	135172072
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	160.055801
ΔH_f, kcal/mol:	-96.75
Dipole, Da:	4.97
IP(EA), eV:	-8.94(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3,5,5-trimethylthiolan-2-one

Drug info:

PubChemData

Smile

CC/C(=C\C(=O)OC)/C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)[N+](=O)[O-]

DOS

IR

Vibrations