Geometry & MOs

Info

ID:	36834
PubChem CID:	8013471
Reduced:	NCl2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	398.072571
ΔH_f, kcal/mol:	-145.65
Dipole, Da:	4.81
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 3-methyl-4-nitrobenzoate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations