Geometry & MOs

Info

ID:	82734
PubChem CID:	49856420
Reduced:	ClNO7C24H26 (1)
Stoich.:	ABC7D24E26 (1)
Weight, g/mol:	218.070972
ΔH_f, kcal/mol:	-249.03
Dipole, Da:	2.99
IP(EA), eV:	-8.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloroethyl)-2-ethoxy-6-methyl-2,3-dihydropyran-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C(C(C2(C(=O)OC)C(=O)OC)(C3=CC=CC=C3)O)CCCl

DOS

IR

Vibrations