Geometry & MOs

Info

ID:	256065
PubChem CID:	103136813
Reduced:	ISN2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	288.01095
ΔH_f, kcal/mol:	100.15
Dipole, Da:	1.4
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(5-methyloxolan-2-yl)methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CNC(C1=CC=CC2=C1C=NC=C2)C3=CSC(=C3)I

DOS

IR

Vibrations