Geometry & MOs

Info

ID:	214069
PubChem CID:	81066874
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	283.121986
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	3.24
IP(EA), eV:	-8.83(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(4-fluorophenoxy)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=NC=C(C=N1)C

DOS

IR

Vibrations