Geometry & MOs

Info

ID:	374906
PubChem CID:	131349725
Reduced:	NOF4H5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	315.89635
ΔH_f, kcal/mol:	-198.74
Dipole, Da:	5.04
IP(EA), eV:	-10.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-(2,5-difluoro-4-iodophenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CC#N)C(F)(F)F)O)F

DOS

IR

Vibrations