Geometry & MOs

Info

ID:	261126
PubChem CID:	103218918
Reduced:	ClIN2O3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	406.97852
ΔH_f, kcal/mol:	-88.58
Dipole, Da:	4.4
IP(EA), eV:	-9.68(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-iodobenzoyl)-cyclopentylamino]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations