Geometry & MOs

Info

ID:	186279
PubChem CID:	77413410
Reduced:	CaClON2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	448.14744
ΔH_f, kcal/mol:	1.49
Dipole, Da:	11.89
IP(EA), eV:	-5.88(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(8-iodooct-1-enyl)-5-oxocyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1)C2C=CC(=O)N=N2)Cl.[Ca]

DOS

IR

Vibrations