Geometry & MOs

Info

ID:	213549
PubChem CID:	81064102
Reduced:	NF3O3C9H14 (1)
Stoich.:	AB3C3D9E14 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-322.13
Dipole, Da:	5.1
IP(EA), eV:	-10.16(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCC(F)(F)F

DOS

IR

Vibrations