Geometry & MOs

Info

ID:	12274
PubChem CID:	134005
Reduced:	N3O5C10H15 (1)
Stoich.:	A3B5C10D15 (1)
Weight, g/mol:	257.101171
ΔH_f, kcal/mol:	-198.45
Dipole, Da:	4.25
IP(EA), eV:	-9.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(3S,4S,5R)-4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)C2[C@H]([C@@H]([C@H](O2)CO)O)CO

DOS

IR

Vibrations