Geometry & MOs

Info

ID:	213810
PubChem CID:	81065060
Reduced:	O3N5C8H13 (1)
Stoich.:	A3B5C8D13 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-63.73
Dipole, Da:	2.46
IP(EA), eV:	-10.57(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,4-dimethylphenoxy)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CN1C=NN=N1

DOS

IR

Vibrations