Geometry & MOs

Info

ID:	257495
PubChem CID:	103146595
Reduced:	N2O2F3C11H15 (1)
Stoich.:	A2B2C3D11E15 (1)
Weight, g/mol:	315.96704
ΔH_f, kcal/mol:	-238.44
Dipole, Da:	7.22
IP(EA), eV:	-9.23(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCC1=C(NC(=NC1=O)CCOCC(F)(F)F)C

DOS

IR

Vibrations