Geometry & MOs

Info

ID:	213264
PubChem CID:	81063283
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-155.45
Dipole, Da:	3.96
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(C2=CC=CC=C2C=C1)O

DOS

IR

Vibrations