Geometry & MOs

Info

ID:	269132
PubChem CID:	103615523
Reduced:	ClINO3C11H11 (1)
Stoich.:	ABCD3E11F11 (1)
Weight, g/mol:	400.04479
ΔH_f, kcal/mol:	-93.6
Dipole, Da:	4.49
IP(EA), eV:	-9.69(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanocyclooctyl)-4-fluoro-2-iodobenzamide

Drug info:

PubChemData

Smile

CN(CC(=O)OC)C(=O)C1=C(C=CC(=C1)Cl)I

DOS

IR

Vibrations