Geometry & MOs

Info

ID:	408333
PubChem CID:	135081099
Reduced:	O4C9H10 (1)
Stoich.:	A4B9C10 (1)
Weight, g/mol:	256.007819
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	1.92
IP(EA), eV:	-9.53(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-chlorobut-3-enyl)-2,3,4,5,6-pentafluorobenzene

Drug info:

PubChemData

Smile

COC(=CC(=O)OC)C1=CC=CO1

DOS

IR

Vibrations