Geometry & MOs

Info

ID:	32491
PubChem CID:	7838931
Reduced:	NF3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	371.053606
ΔH_f, kcal/mol:	-258.88
Dipole, Da:	4.61
IP(EA), eV:	-9.12(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations