Geometry & MOs

Info

ID:	16103
PubChem CID:	459903
Reduced:	N3O4C10H15 (1)
Stoich.:	A3B4C10D15 (1)
Weight, g/mol:	241.106256
ΔH_f, kcal/mol:	-163.03
Dipole, Da:	4.82
IP(EA), eV:	-9.56(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations