Geometry & MOs

Info

ID:	257500
PubChem CID:	103146629
Reduced:	BrN2O2F3C11H14 (1)
Stoich.:	AB2C2D3E11F14 (1)
Weight, g/mol:	338.04415
ΔH_f, kcal/mol:	-231.61
Dipole, Da:	8.05
IP(EA), eV:	-9.38(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-6-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1=C(C(=O)N=C(N1)CCOCC(F)(F)F)Br

DOS

IR

Vibrations