Geometry & MOs

Info

ID:	213444
PubChem CID:	81063735
Reduced:	NOSC12H27 (1)
Stoich.:	ABCD12E27 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-79.41
Dipole, Da:	2.85
IP(EA), eV:	-8.45(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-(4-methylphenoxy)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)CC(CS)C(C)(C)C

DOS

IR

Vibrations