Geometry & MOs

Info

ID:	272872
PubChem CID:	103763166
Reduced:	ClINO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	394.97852
ΔH_f, kcal/mol:	-122.87
Dipole, Da:	1.54
IP(EA), eV:	-9.26(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloro-2-iodoanilino)-3,3-dimethyl-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)NC2=C(C=C(C=C2)Cl)I)C(=O)O

DOS

IR

Vibrations