Geometry & MOs

Info

ID:	20139
PubChem CID:	580125
Reduced:	FNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	211.100857
ΔH_f, kcal/mol:	-125.08
Dipole, Da:	2.55
IP(EA), eV:	-9.66(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-3-(2-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations