Geometry & MOs

Info

ID:	338205
PubChem CID:	127258897
Reduced:	FNOC4H4 (2)
Stoich.:	ABCD4E4 (2)
Weight, g/mol:	261.076786
ΔH_f, kcal/mol:	-148.77
Dipole, Da:	3.43
IP(EA), eV:	-10.32(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1C[C@@H](C(=O)O)N)F)F

DOS

IR

Vibrations