Geometry & MOs

Info

ID:	213802
PubChem CID:	81065035
Reduced:	N2O4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-159.24
Dipole, Da:	4.87
IP(EA), eV:	-9.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(4-methylphenyl)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C=CC=N1)O

DOS

IR

Vibrations