Geometry & MOs

Info

ID:	213554
PubChem CID:	81064112
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	283.121986
ΔH_f, kcal/mol:	-108.67
Dipole, Da:	6.91
IP(EA), eV:	-8.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-fluorophenoxy)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)/C=C/C1=CC=C(C=C1)N(C)C

DOS

IR

Vibrations