Geometry & MOs

Info

ID:	213384
PubChem CID:	81063587
Reduced:	ClNO4C14H18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	-176.4
Dipole, Da:	6.01
IP(EA), eV:	-8.95(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CC1=C(C=CC(=C1)Cl)OC

DOS

IR

Vibrations