Geometry & MOs

Info

ID:	2207
PubChem CID:	6252
Reduced:	ClN3O5C9H14 (1)
Stoich.:	AB3C5D9E14 (1)
Weight, g/mol:	279.062198
ΔH_f, kcal/mol:	-226.33
Dipole, Da:	5.02
IP(EA), eV:	-9.76(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O.Cl

DOS

IR

Vibrations