Geometry & MOs

Info

ID:	213994
PubChem CID:	81065631
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	377.00295
ΔH_f, kcal/mol:	-134.55
Dipole, Da:	2.18
IP(EA), eV:	-9.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC=CC=C1C

DOS

IR

Vibrations