Geometry & MOs

Info

ID:	289744
PubChem CID:	104372433
Reduced:	ClN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	311.083683
ΔH_f, kcal/mol:	-97.92
Dipole, Da:	2.86
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[4-(diethylamino)phenyl]-5-fluoro-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(NC(=O)N(C1=O)CC2=CC(=NC=C2)OC)Cl

DOS

IR

Vibrations