Geometry & MOs

Info

ID:	151091
PubChem CID:	53790789
Reduced:	N3O3C6H7 (1)
Stoich.:	A3B3C6D7 (1)
Weight, g/mol:	262.056527
ΔH_f, kcal/mol:	-41.59
Dipole, Da:	4.47
IP(EA), eV:	-10.42(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylcarbamoylamino)phenyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(=O)ON=C(C#N)C(=O)NC

DOS

IR

Vibrations