Geometry & MOs

Info

ID:	257539
PubChem CID:	103146881
Reduced:	O2F3C8H9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	354.00784
ΔH_f, kcal/mol:	-193.01
Dipole, Da:	1.65
IP(EA), eV:	-10.56(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-methoxyphenyl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

C#CCC(=O)CCOCC(F)(F)F

DOS

IR

Vibrations