Geometry & MOs

Info

ID:	12421
PubChem CID:	137384
Reduced:	BrO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	265.99424
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	6.07
IP(EA), eV:	-9.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethylidene)-3-phenyloxan-2-one

Drug info:

PubChemData

Smile

C1CC(=CBr)OC(=O)C1C2=CC=CC=C2

DOS

IR

Vibrations