Geometry & MOs

Info

ID:	213421
PubChem CID:	81063660
Reduced:	ClN2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	343.04192
ΔH_f, kcal/mol:	-134.16
Dipole, Da:	4.83
IP(EA), eV:	-10.27(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(3-bromophenoxy)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(C=CC(=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations