Geometry & MOs

Info

ID:	213993
PubChem CID:	81065630
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-132.01
Dipole, Da:	4.96
IP(EA), eV:	-9.5(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)/C=C/C=CC

DOS

IR

Vibrations