Geometry & MOs

Info

ID:	225264
PubChem CID:	85752994
Reduced:	ClO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	6.0
IP(EA), eV:	-9.69(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-5-(hydroxymethyl)-6-methyloxan-2-one

Drug info:

PubChemData

Smile

CC1=C(CC2=C1C=CC=C2Cl)C(=O)O

DOS

IR

Vibrations