Geometry & MOs

Info

ID:	297059
PubChem CID:	117607396
Reduced:	OH8C10 (1)
Stoich.:	AB8C10 (1)
Weight, g/mol:	260.017098
ΔH_f, kcal/mol:	65.36
Dipole, Da:	3.81
IP(EA), eV:	-9.34(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-buta-1,3-dien-2-yloxyethyl]-1,3-dichloro-4-fluorobenzene

Drug info:

PubChemData

Smile

C#CC(=O)C1=CC=CCC=C1

DOS

IR

Vibrations