Geometry & MOs

Info

ID:	414090
PubChem CID:	135087044
Reduced:	NPO4C8H18 (1)
Stoich.:	ABC4D8E18 (1)
Weight, g/mol:	261.90527
ΔH_f, kcal/mol:	-207.35
Dipole, Da:	4.76
IP(EA), eV:	-9.25(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1,3,4,5,6-pentafluorobicyclo[2.2.0]hex-5-en-2-one

Drug info:

PubChemData

Smile

CCOP(=O)(CC/C=[N+](/C)\[O-])OCC

DOS

IR

Vibrations