Geometry & MOs

Info

ID:	33681
PubChem CID:	7887482
Reduced:	FO5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	317.106336
ΔH_f, kcal/mol:	-209.93
Dipole, Da:	4.86
IP(EA), eV:	-9.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(=O)OC)F

DOS

IR

Vibrations