Geometry & MOs

Info

ID:	11869
PubChem CID:	122107
Reduced:	N3O4C9H13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	227.090606
ΔH_f, kcal/mol:	-166.52
Dipole, Da:	5.96
IP(EA), eV:	-10.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4S,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations