Geometry & MOs

Info

ID:	213284
PubChem CID:	81063333
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-144.97
Dipole, Da:	5.38
IP(EA), eV:	-9.26(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(3-pyridin-3-ylpropanoylamino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations