Geometry & MOs

Info

ID:	16609
PubChem CID:	473662
Reduced:	N3O5C10H15 (1)
Stoich.:	A3B5C10D15 (1)
Weight, g/mol:	257.101171
ΔH_f, kcal/mol:	-189.35
Dipole, Da:	5.35
IP(EA), eV:	-9.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)CO)NO

DOS

IR

Vibrations