Geometry & MOs

Info

ID:	393505
PubChem CID:	135020867
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	282.085186
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	3.96
IP(EA), eV:	-9.17(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-prop-2-ynoxyoxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1(C[C@H]2CC3=CC=CC=C3[C@@H]1N2CC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations