Geometry & MOs

Info

ID:	251146
PubChem CID:	103101764
Reduced:	IN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	292.08349
ΔH_f, kcal/mol:	-50.94
Dipole, Da:	4.81
IP(EA), eV:	-10.03(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=C(C=CC(=C1)[N+](=O)[O-])I

DOS

IR

Vibrations