Geometry & MOs

Info

ID:	125599
PubChem CID:	50929481
Reduced:	NF3O5H14C18 (1)
Stoich.:	AB3C5D14E18 (1)
Weight, g/mol:	419.174416
ΔH_f, kcal/mol:	-304.3
Dipole, Da:	6.14
IP(EA), eV:	-9.52(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3,4,5-triethoxybenzoate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)OCC(=O)NCC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations