Geometry & MOs

Info

ID:	271717
PubChem CID:	103689509
Reduced:	OF3N3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	226.07537
ΔH_f, kcal/mol:	-148.17
Dipole, Da:	2.06
IP(EA), eV:	-9.31(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[(3-fluoropyridine-4-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)CNCC2=NC=CN2

DOS

IR

Vibrations