Geometry & MOs

Info

ID:	259215
PubChem CID:	103162126
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	301.027249
ΔH_f, kcal/mol:	-161.56
Dipole, Da:	3.19
IP(EA), eV:	-10.35(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-[(2-cyclobutylacetyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)O)NC(=O)CC1CCC1

DOS

IR

Vibrations