Geometry & MOs

Info

ID:	213173
PubChem CID:	81063117
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	343.04192
ΔH_f, kcal/mol:	-199.27
Dipole, Da:	4.51
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-bromophenoxy)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)OC)OC

DOS

IR

Vibrations