Geometry & MOs

Info

ID:	23253
PubChem CID:	602925
Reduced:	FNO5C12H14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	271.085601
ΔH_f, kcal/mol:	-210.89
Dipole, Da:	2.04
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-(2-fluoro-4,5-dimethoxyphenyl)-3-oxopropanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)C(C(=O)OC)N)F)OC

DOS

IR

Vibrations