Geometry & MOs

Info

ID:	292804
PubChem CID:	117359153
Reduced:	NF2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	243.0707
ΔH_f, kcal/mol:	-187.89
Dipole, Da:	8.31
IP(EA), eV:	-10.03(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)F)C(CCC(=O)O)N)C=O

DOS

IR

Vibrations