Geometry & MOs

Info

ID:	49112
PubChem CID:	11528723
Reduced:	NO2F3H6C10 (1)
Stoich.:	AB2C3D6E10 (1)
Weight, g/mol:	229.06987
ΔH_f, kcal/mol:	-184.42
Dipole, Da:	0.91
IP(EA), eV:	-9.86(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxyamino)-1-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(=C1F)F)N=C(OC2=O)C)F

DOS

IR

Vibrations