Geometry & MOs

Info

ID:	285021
PubChem CID:	104091016
Reduced:	BrOSC13H13 (1)
Stoich.:	ABCD13E13 (1)
Weight, g/mol:	267.98991
ΔH_f, kcal/mol:	23.19
Dipole, Da:	3.59
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-fluorophenyl)hex-5-yn-1-one

Drug info:

PubChemData

Smile

C#CCCCC(=O)CSC1=CC=CC=C1Br

DOS

IR

Vibrations