Geometry & MOs

Info

ID:	257546
PubChem CID:	103146949
Reduced:	Cl2O2F3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	324.99253
ΔH_f, kcal/mol:	-242.63
Dipole, Da:	5.8
IP(EA), eV:	-9.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromopyridin-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CC(=O)CCOCC(F)(F)F)Cl

DOS

IR

Vibrations