Geometry & MOs

Info

ID:	213459
PubChem CID:	81063816
Reduced:	NSO3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-118.55
Dipole, Da:	3.68
IP(EA), eV:	-9.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(3,4-dimethylphenyl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC=CS1

DOS

IR

Vibrations