Geometry & MOs

Info

ID:	257496
PubChem CID:	103146620
Reduced:	BrN2F3O3C8H8 (1)
Stoich.:	AB2C3D3E8F8 (1)
Weight, g/mol:	345.9626
ΔH_f, kcal/mol:	-268.28
Dipole, Da:	5.8
IP(EA), eV:	-9.57(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(COCC(F)(F)F)C1=NC(=C(C(=O)N1)Br)O

DOS

IR

Vibrations