Geometry & MOs

Info

ID:	295973
PubChem CID:	117548783
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-74.12
Dipole, Da:	4.31
IP(EA), eV:	-9.18(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2,4,6-trimethylphenyl)oxetan-3-yl]butan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2(COC2)CCC(=O)C)C

DOS

IR

Vibrations