Geometry & MOs

Info

ID:	35652
PubChem CID:	7980149
Reduced:	NO3H21C23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	331.121986
ΔH_f, kcal/mol:	-70.69
Dipole, Da:	4.87
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C

DOS

IR

Vibrations