Geometry & MOs

Info

ID:	272871
PubChem CID:	103763165
Reduced:	ClINO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	420.99417
ΔH_f, kcal/mol:	-124.39
Dipole, Da:	5.21
IP(EA), eV:	-9.03(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chloro-2-iodoanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(CC(=O)NC2=C(C=C(C=C2)Cl)I)CC(=O)O

DOS

IR

Vibrations