Geometry & MOs

Info

ID:	287984
PubChem CID:	104304462
Reduced:	BrN2O2C10H15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	300.04734
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	4.4
IP(EA), eV:	-8.46(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-bromo-2-(5-methyloxolan-2-yl)ethyl]-6-methoxypyrimidine

Drug info:

PubChemData

Smile

COCCC(CC1=CC(=NC=N1)OC)Br

DOS

IR

Vibrations