Geometry & MOs

Info

ID:	20876
PubChem CID:	586257
Reduced:	BrN2O5C9H11 (1)
Stoich.:	AB2C5D9E11 (1)
Weight, g/mol:	305.98513
ΔH_f, kcal/mol:	-187.27
Dipole, Da:	7.42
IP(EA), eV:	-9.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CN(C(=NC1=O)Br)C2C(C(C(O2)CO)O)O

DOS

IR

Vibrations