Geometry & MOs

Info

ID:	195232
PubChem CID:	78661685
Reduced:	F3N4O6C15H15 (1)
Stoich.:	A3B4C6D15E15 (1)
Weight, g/mol:	393.11477
ΔH_f, kcal/mol:	-311.81
Dipole, Da:	11.49
IP(EA), eV:	-9.59(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-[2-nitro-4-(trifluoromethyl)anilino]acetate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCNC1=O)OC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations