Geometry & MOs

Info

ID:	175804
PubChem CID:	75949749
Reduced:	N3O3C11H20 (1)
Stoich.:	A3B3C11D20 (1)
Weight, g/mol:	267.021738
ΔH_f, kcal/mol:	-41.34
Dipole, Da:	11.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.777221
Charge, e:	-1

Chem-info

IUPAC name:

1-(2,5-difluorophenyl)-2,6-dioxo-5H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C[NH+](C)CCN=C1C(C(=O)C1=O)NCCOC

DOS

IR

Vibrations