Geometry & MOs

Info

ID:	285022
PubChem CID:	104091018
Reduced:	BrFOH10C12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	220.089958
ΔH_f, kcal/mol:	-24.52
Dipole, Da:	2.28
IP(EA), eV:	-10.14(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-6-methoxyphenyl)hex-5-yn-1-one

Drug info:

PubChemData

Smile

C#CCCCC(=O)C1=CC(=CC(=C1)Br)F

DOS

IR

Vibrations