Geometry & MOs

Info

ID:	213899
PubChem CID:	81065530
Reduced:	INO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-106.14
Dipole, Da:	3.93
IP(EA), eV:	-9.67(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC=CC=C1I

DOS

IR

Vibrations