Geometry & MOs

Info

ID:	266864
PubChem CID:	103579797
Reduced:	FSCl2N2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	304.999732
ΔH_f, kcal/mol:	-11.82
Dipole, Da:	5.77
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CNC2=CC(=C(C(=C2)Cl)F)Cl

DOS

IR

Vibrations