Geometry & MOs

Info

ID:	276682
PubChem CID:	103824696
Reduced:	BrClFON2H7C12 (1)
Stoich.:	ABCDE2F7G12 (1)
Weight, g/mol:	358.95355
ΔH_f, kcal/mol:	-29.51
Dipole, Da:	3.45
IP(EA), eV:	-9.33(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=CN=C(C=C2)F)Cl)Br

DOS

IR

Vibrations