Geometry & MOs

Info

ID:	1456
PubChem CID:	4493
Reduced:	F3N3O4H10C12 (1)
Stoich.:	A3B3C4D10E12 (1)
Weight, g/mol:	317.06234
ΔH_f, kcal/mol:	-228.32
Dipole, Da:	11.07
IP(EA), eV:	-10.26(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C

DOS

IR

Vibrations