Geometry & MOs

Info

ID:	259129
PubChem CID:	103158293
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	298.132885
ΔH_f, kcal/mol:	-202.25
Dipole, Da:	4.23
IP(EA), eV:	-9.06(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations