Geometry & MOs

Info

ID:	213797
PubChem CID:	81065007
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-194.54
Dipole, Da:	3.24
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-hydroxyphenyl)propanoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations