Geometry & MOs

Info

ID:	294340
PubChem CID:	117453637
Reduced:	FO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	282.137971
ΔH_f, kcal/mol:	-196.98
Dipole, Da:	4.35
IP(EA), eV:	-8.62(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C(=C1)C2(CCC2)C(=O)O)F)OC

DOS

IR

Vibrations