Geometry & MOs

Info

ID:	325849
PubChem CID:	126685290
Reduced:	FNOC7H8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	344.05394
ΔH_f, kcal/mol:	-66.92
Dipole, Da:	2.79
IP(EA), eV:	-10.23(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-amino-3-(4-chlorophenyl)-3-[6-(trifluoromethyl)pyridin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C1=CN=C(C=C1CO)CF

DOS

IR

Vibrations