Geometry & MOs

Info

ID:	213583
PubChem CID:	81064278
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-154.35
Dipole, Da:	3.01
IP(EA), eV:	-9.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-4-methylbenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations