Geometry & MOs

Info

ID:	294063
PubChem CID:	117425876
Reduced:	NF2H5O5C11 (1)
Stoich.:	AB2C5D5E11 (1)
Weight, g/mol:	269.106336
ΔH_f, kcal/mol:	-198.16
Dipole, Da:	5.53
IP(EA), eV:	-10.61(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[7-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1C(=O)O)F)F)C2=CC(=NO2)C(=O)O

DOS

IR

Vibrations