Geometry & MOs

Info

ID:	23323
PubChem CID:	603097
Reduced:	FNO5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	285.101251
ΔH_f, kcal/mol:	-219.02
Dipole, Da:	4.43
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C1=CC(=C(C=C1F)OC)OC)N

DOS

IR

Vibrations