Geometry & MOs

Info

ID:	289730
PubChem CID:	104370630
Reduced:	ClFN2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	306.001904
ΔH_f, kcal/mol:	-117.87
Dipole, Da:	2.27
IP(EA), eV:	-9.83(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[3-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(NC1=O)Cl)C2=CC(=CC=C2)F

DOS

IR

Vibrations