Geometry & MOs

Info

ID:	295972
PubChem CID:	117548745
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-44.84
Dipole, Da:	4.59
IP(EA), eV:	-9.98(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CCC1(COC1)C2=CN=CC=C2

DOS

IR

Vibrations