Geometry & MOs

Info

ID:	213545
PubChem CID:	81064097
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-198.25
Dipole, Da:	3.34
IP(EA), eV:	-8.85(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethylbenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations