Geometry & MOs

Info

ID:	213892
PubChem CID:	81065523
Reduced:	ClNO4C13H16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-178.07
Dipole, Da:	2.41
IP(EA), eV:	-9.57(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=C(C=C1)O)Cl

DOS

IR

Vibrations