Geometry & MOs

Info

ID:	213335
PubChem CID:	81063481
Reduced:	N2F3O3C13H15 (1)
Stoich.:	A2B3C3D13E15 (1)
Weight, g/mol:	357.05757
ΔH_f, kcal/mol:	-271.37
Dipole, Da:	4.5
IP(EA), eV:	-10.4(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CN=C(C=C1)C(F)(F)F

DOS

IR

Vibrations