Geometry & MOs

Info

ID:	224968
PubChem CID:	85735194
Reduced:	BrClO3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	337.088099
ΔH_f, kcal/mol:	-62.91
Dipole, Da:	2.36
IP(EA), eV:	-9.69(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenacyl 2-amino-3-(2-fluorophenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCBr

DOS

IR

Vibrations