Geometry & MOs

Info

ID:	296253
PubChem CID:	117563440
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-172.08
Dipole, Da:	8.07
IP(EA), eV:	-10.41(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylanilino)-2-methyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCNC(=O)C(C)CC(=O)O

DOS

IR

Vibrations