Geometry & MOs

Info

ID:	18091
PubChem CID:	537734
Reduced:	BrFO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	259.98482
ΔH_f, kcal/mol:	-115.25
Dipole, Da:	2.61
IP(EA), eV:	-9.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-fluorophenyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1=C(C=C(C=C1)F)Br

DOS

IR

Vibrations