Geometry & MOs

Info

ID:	338218
PubChem CID:	127258910
Reduced:	BrClOF2N2C7H8 (1)
Stoich.:	ABCD2E2F7G8 (1)
Weight, g/mol:	235.041149
ΔH_f, kcal/mol:	-139.66
Dipole, Da:	3.57
IP(EA), eV:	-9.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)OC(F)F)Br)NN.Cl

DOS

IR

Vibrations