Geometry & MOs

Info

ID:	35661
PubChem CID:	7980165
Reduced:	N2O6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	351.108228
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	10.49
IP(EA), eV:	-9.21(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations