Geometry & MOs

Info

ID:	183285
PubChem CID:	77001247
Reduced:	F2N2O3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	236.077262
ΔH_f, kcal/mol:	-187.15
Dipole, Da:	4.25
IP(EA), eV:	-10.17(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC(=C1C(=O)NC(=NC1=O)C2=CC=CC=C2OC(F)F)C

DOS

IR

Vibrations