Geometry & MOs

Info

ID:	213212
PubChem CID:	81063176
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-137.93
Dipole, Da:	1.63
IP(EA), eV:	-9.38(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(3,5-dimethylphenoxy)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC(C)CC(=O)O)C

DOS

IR

Vibrations