Geometry & MOs

Info

ID:	213762
PubChem CID:	81064912
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-133.94
Dipole, Da:	3.54
IP(EA), eV:	-9.63(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-dimethylbenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations