Geometry & MOs

Info

ID:	260815
PubChem CID:	103205643
Reduced:	ClN2O2F3C11H12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	310.06959
ΔH_f, kcal/mol:	-237.16
Dipole, Da:	3.43
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-5-chloro-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)NC(=O)CCOCC(F)(F)F)N

DOS

IR

Vibrations