Geometry & MOs

Info

ID:	296442
PubChem CID:	117574503
Reduced:	FN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	267.027391
ΔH_f, kcal/mol:	-104.46
Dipole, Da:	5.64
IP(EA), eV:	-9.03(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-3-(2,2,2-trifluoroethylamino)benzoate

Drug info:

PubChemData

Smile

CNC(CNC1=CC=CC=C1F)C(=O)O

DOS

IR

Vibrations