Geometry & MOs

Info

ID:	214061
PubChem CID:	81066749
Reduced:	NCl2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	257.162708
ΔH_f, kcal/mol:	-141.32
Dipole, Da:	2.53
IP(EA), eV:	-9.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations