Geometry & MOs

Info

ID:	228881
PubChem CID:	87566062
Reduced:	BrPO6C12H14 (1)
Stoich.:	ABC6D12E14 (1)
Weight, g/mol:	241.111422
ΔH_f, kcal/mol:	-253.46
Dipole, Da:	2.42
IP(EA), eV:	-9.25(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[4-(2-fluoroethoxy)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(=O)C1=CC2=C(C=C1Br)OCO2)O

DOS

IR

Vibrations