Geometry & MOs

Info

ID:	82735
PubChem CID:	49856421
Reduced:	ClO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	246.102272
ΔH_f, kcal/mol:	-150.4
Dipole, Da:	3.84
IP(EA), eV:	-9.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloroethyl)-6-methyl-2-[(2-methylpropan-2-yl)oxy]-2,3-dihydropyran-4-one

Drug info:

PubChemData

Smile

CCOC1CC(=O)C(=C(O1)C)CCCl

DOS

IR

Vibrations