Geometry & MOs

Info

ID:	336433
PubChem CID:	127255440
Reduced:	ClN2O3C8H9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	217.030584
ΔH_f, kcal/mol:	-107.44
Dipole, Da:	6.39
IP(EA), eV:	-9.62(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(2-chloro-5-fluorophenyl)propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=O)N=C(N1)C)Cl

DOS

IR

Vibrations