Geometry & MOs

Info

ID:	295963
PubChem CID:	117548692
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-51.09
Dipole, Da:	4.81
IP(EA), eV:	-9.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-methylphenyl)oxetan-3-yl]propan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations