Geometry & MOs

Info

ID:	13524
PubChem CID:	241015
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-147.41
Dipole, Da:	6.68
IP(EA), eV:	-10.2(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethyl)-3,5-dimethyloxan-2-one

Drug info:

PubChemData

Smile

CC1CC(COC1=O)(C)COC

DOS

IR

Vibrations