Geometry & MOs

Info

ID:	437301
PubChem CID:	135222221
Reduced:	BrO2F3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	286.02046
ΔH_f, kcal/mol:	-211.22
Dipole, Da:	3.85
IP(EA), eV:	-10.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(4-methoxyphenyl)methoxy]butan-2-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)COCCCCC(=O)CBr)F)F

DOS

IR

Vibrations