Geometry & MOs

Info

ID:	293470
PubChem CID:	117390522
Reduced:	NO6C11H13 (1)
Stoich.:	AB6C11D13 (1)
Weight, g/mol:	255.090686
ΔH_f, kcal/mol:	-238.39
Dipole, Da:	11.09
IP(EA), eV:	-9.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)butanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(CC(=O)O)N)C(=O)O)O

DOS

IR

Vibrations