Geometry & MOs

Info

ID:	267028
PubChem CID:	103580489
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	273.97755
ΔH_f, kcal/mol:	28.81
Dipole, Da:	6.92
IP(EA), eV:	-8.79(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(oxolan-2-ylmethylsulfanyl)pyrimidine

Drug info:

PubChemData

Smile

C1CC(OC1)CSC2=NC=CN=C2C#N

DOS

IR

Vibrations