Geometry & MOs

Info

ID:	129709
PubChem CID:	51073613
Reduced:	FSN3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	295.97965
ΔH_f, kcal/mol:	-104.85
Dipole, Da:	0.91
IP(EA), eV:	-8.94(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-bromophenoxy)methyl]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CSCC12C(=O)N(C(=O)N2)CC3=NC=C(O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations