Geometry & MOs

Info

ID:	341953
PubChem CID:	127264646
Reduced:	ClNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	296.95675
ΔH_f, kcal/mol:	-117.58
Dipole, Da:	4.77
IP(EA), eV:	-9.38(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-bromo-3-fluorophenyl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)[C@H](CC(=O)O)N)Cl

DOS

IR

Vibrations