Geometry & MOs

Info

ID:	412798
PubChem CID:	135085727
Reduced:	BrO4C12H19 (1)
Stoich.:	AB4C12D19 (1)
Weight, g/mol:	228.946412
ΔH_f, kcal/mol:	-180.89
Dipole, Da:	3.33
IP(EA), eV:	-10.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloro-1-[(1S,5R)-6-oxa-3-azabicyclo[3.1.0]hexan-3-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC=C)(CBr)C(=O)OCC

DOS

IR

Vibrations