Geometry & MOs

Info

ID:	338203
PubChem CID:	127258895
Reduced:	ClN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	238.032062
ΔH_f, kcal/mol:	-103.85
Dipole, Da:	9.59
IP(EA), eV:	-10.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(2,6-difluoropyridin-3-yl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C[C@@H](C(=O)O)N.Cl

DOS

IR

Vibrations