Geometry & MOs

Info

ID:	289716
PubChem CID:	104369362
Reduced:	ClN2O3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	296.072784
ΔH_f, kcal/mol:	-97.32
Dipole, Da:	3.74
IP(EA), eV:	-8.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-tert-butylphenyl)-6-chloro-5-fluoro-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1=C(NC(=O)N(C1=O)C2COC3=CC=CC=C23)Cl

DOS

IR

Vibrations