Geometry & MOs

Info

ID:	35719
PubChem CID:	7980240
Reduced:	INO4H14C16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	317.106336
ΔH_f, kcal/mol:	-93.74
Dipole, Da:	4.93
IP(EA), eV:	-9.17(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=CC(=CC=C2)I

DOS

IR

Vibrations