Geometry & MOs

Info

ID:	295958
PubChem CID:	117548652
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	253.99424
ΔH_f, kcal/mol:	-116.8
Dipole, Da:	5.28
IP(EA), eV:	-8.9(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-bromophenyl)oxetan-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1(COC1)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations