Geometry & MOs

Info

ID:	378332
PubChem CID:	134224410
Reduced:	ClFN3O3C9H13 (1)
Stoich.:	ABC3D3E9F13 (1)
Weight, g/mol:	245.056719
ΔH_f, kcal/mol:	-149.62
Dipole, Da:	4.03
IP(EA), eV:	-8.73(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[3-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1N=C(C=CN1[C@H]2[C@@]([C@@H]([C@H](O2)CO)O)(F)Cl)N

DOS

IR

Vibrations