Geometry & MOs

Info

ID:	65945
PubChem CID:	46484664
Reduced:	FN4O4H15C18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	445.124941
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	6.88
IP(EA), eV:	-9.35(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)CNC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])F

DOS

IR

Vibrations