Geometry & MOs

Info

ID:	131500
PubChem CID:	51214960
Reduced:	FN2O4H11C16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	391.166269
ΔH_f, kcal/mol:	-19.16
Dipole, Da:	3.78
IP(EA), eV:	-9.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-ethylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)COC3=C(C=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations