Geometry & MOs

Info

ID:	295968
PubChem CID:	117548718
Reduced:	FO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	3.79
IP(EA), eV:	-9.84(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,4-dimethylphenyl)oxetan-3-yl]propan-2-one

Drug info:

PubChemData

Smile

CC(=O)CC1(COC1)C2=CC(=CC=C2)F

DOS

IR

Vibrations