Geometry & MOs

Info

ID:	289732
PubChem CID:	104371131
Reduced:	FCl2N2O2H5C10 (1)
Stoich.:	AB2C2D2E5F10 (1)
Weight, g/mol:	415.97885
ΔH_f, kcal/mol:	-100.74
Dipole, Da:	3.87
IP(EA), eV:	-9.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-cyclopentyl-3-(2-iodophenyl)-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)F)N2C(=O)C=C(NC2=O)Cl

DOS

IR

Vibrations