Geometry & MOs

Info

ID:	336434
PubChem CID:	127255441
Reduced:	ClFNO2C9H9 (1)
Stoich.:	ABCD2E9F9 (1)
Weight, g/mol:	213.080121
ΔH_f, kcal/mol:	-123.97
Dipole, Da:	4.41
IP(EA), eV:	-9.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2-fluoro-4-methoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)C(CC(=O)O)N)Cl

DOS

IR

Vibrations