Geometry & MOs

Info

ID:	295959
PubChem CID:	117548659
Reduced:	BrO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-40.35
Dipole, Da:	5.35
IP(EA), eV:	-9.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,4,5-trimethoxyphenyl)oxetan-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1(COC1)C2=CC=CC=C2Br

DOS

IR

Vibrations