Geometry & MOs

Info

ID:	166997
PubChem CID:	74764241
Reduced:	F3N3H12C14 (1)
Stoich.:	A3B3C12D14 (1)
Weight, g/mol:	277.086956
ΔH_f, kcal/mol:	-81.43
Dipole, Da:	1.44
IP(EA), eV:	-9.46(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-phenylphenyl)propanoic acid;hydron;chloride

Drug info:

PubChemData

Smile

C1/C(=C\C2=CC=CC=C2)/C3=NNC(=C3CN1)C(F)(F)F

DOS

IR

Vibrations