Geometry & MOs

Info

ID:	424210
PubChem CID:	135121747
Reduced:	ClON2F3H8C10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	314.058883
ΔH_f, kcal/mol:	-156.97
Dipole, Da:	5.52
IP(EA), eV:	-9.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(6-phenylpyridin-2-yl)propanoic acid;dihydrochloride

Drug info:

PubChemData

Smile

C1C(=NNC1(C(F)(F)F)O)C2=CC=CC=C2Cl

DOS

IR

Vibrations