Geometry & MOs

Info

ID:	213835
PubChem CID:	81065176
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	313.108086
ΔH_f, kcal/mol:	-152.74
Dipole, Da:	2.42
IP(EA), eV:	-9.33(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chloro-2-methylphenoxy)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)CC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations