Geometry & MOs

Info

ID:	288521
PubChem CID:	104318523
Reduced:	ON4C7H10 (1)
Stoich.:	AB4C7D10 (1)
Weight, g/mol:	261.9953
ΔH_f, kcal/mol:	26.8
Dipole, Da:	7.85
IP(EA), eV:	-10.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-(3-hydroxybutyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(CCN1C=NC(=N1)C#N)O

DOS

IR

Vibrations