Geometry & MOs

Info

ID:	279985
PubChem CID:	103846089
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	297.137636
ΔH_f, kcal/mol:	-50.03
Dipole, Da:	4.77
IP(EA), eV:	-9.11(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluoro-5-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Drug info:

PubChemData

Smile

CC(=CCN1C2CCC1CC(=O)C2)C

DOS

IR

Vibrations