Geometry & MOs

Info

ID:	10730
PubChem CID:	107488
Reduced:	ClN3O4C9H14 (1)
Stoich.:	AB3C4D9E14 (1)
Weight, g/mol:	263.067284
ΔH_f, kcal/mol:	-192.76
Dipole, Da:	5.77
IP(EA), eV:	-9.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O.Cl

DOS

IR

Vibrations