Geometry & MOs

Info

ID:	679
PubChem CID:	3183
Reduced:	BrN2O5C11H13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	332.00078
ΔH_f, kcal/mol:	-196.34
Dipole, Da:	6.56
IP(EA), eV:	-9.2(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromoethenyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)O

DOS

IR

Vibrations